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S1
Supplementary information for
Ln(OTf)3-Catalyzed Highly Regioselective Alcoholysis of 2,3-Epoxy Alcohols
Daichi Nakamuraa, Yusuke Sasanoa, Yoshiharu Iwabuchia,*
Department of Organic Chemistry, Graduate School of Pharmaceutical Sciences, Tohoku University
6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578, Japan
Index of page
1H-NMR, 13C-NMR spectra of the catalyst screening
1H-NMR, 13C-NMR spectra of the application to synthesis
S2
S7
Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.This journal is © The Royal Society of Chemistry 2019
abundance01.02.03.04.05.06.07.08.09.010.011.012.013.014.015.016.017.018.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.268
5.1535.1475.1455.1405.1365.1335.128
4.3744.3594.3544.1624.1504.142
3.4033.3413.3343.3273.3213.314
2.0932.056
1.6151.5121.4961.4701.4640.9420.9310.919
0.000
4.11
3.08
3.03
3.00
2.98
1.04
1.03
1.03
1.01
File
name
=
DN-m
etha
noly
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prot
on-1
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thor
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xpSa
mple
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lysi
sSo
lven
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LORO
FORM
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tual
_Sta
rt_T
ime
= 24
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7 22
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04Re
visi
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oton
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Prot
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m_Un
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Dime
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XSi
te
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M-EC
A600
Spec
trom
eter
=
DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4627
6352
[s]
X_Do
main
=
1HX_
Freq
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7.17
1442
93[M
Hz]
X_Of
fset
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5[pp
m]X_
Poin
ts
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384
X_Pr
esca
ns
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1X_
Reso
luti
on
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6836
375[
Hz]
X_Sw
eep
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11.2
0071
685[
kHz]
X_Sw
eep_
Clip
ped
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0573
48[k
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Irr_
Doma
in
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Prot
onIr
r_Fr
eq
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7.17
1442
93[M
Hz]
Irr_
Offs
et
=
5[pp
m]Tr
i_Do
main
= Pr
oton
Tri_
Freq
=
597.
1714
4293
[MHz
]Tr
i_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 16
Tota
l_Sc
ans
=
16
Rela
xati
on_D
elay
=
5[s]
Recv
r_Ga
in
=
34Te
mp_G
et
= 24
.1[d
C]X_
90_W
idth
= 7.
15[u
s]X_
Acq_
Time
= 1.
4627
6352
[s]
X_An
gle
=
45[d
eg]
X_At
n
=
2.8[
dB]
X_Pu
lse
=
3.57
5[us
]Ir
r_Mo
de
= Of
fTr
i_Mo
de
= Of
fDa
nte_
Pres
at
= FA
LSE
Init
ial_
Wait
=
1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
O
O
O
O
O
C3-2’
S2
abundance01.02.03.04.05.06.07.08.09.010.011.012.013.014.015.016.017.018.019.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.266
5.9055.8955.8875.8775.8755.8665.8585.2715.2425.1715.1545.132
4.3954.3744.3704.1674.1594.146
3.5153.5083.5013.4943.487
2.0892.051
1.5351.4781.4741.3740.9360.9250.914
0.000
4.09
3.17 3.12
3.09
1.10
1.09
1.05
1.04
1.03
1.021.02
1.00
0.99
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oton
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=
Prot
onDi
m_Un
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Dime
nsio
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XSi
te
= JN
M-EC
A600
Spec
trom
eter
=
DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4627
6352
[s]
X_Do
main
=
1HX_
Freq
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7.17
1442
93[M
Hz]
X_Of
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=
5[pp
m]X_
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384
X_Pr
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ns
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1X_
Reso
luti
on
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6836
375[
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X_Sw
eep
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11.2
0071
685[
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X_Sw
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Clip
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0573
48[k
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Irr_
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Prot
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r_Fr
eq
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7.17
1442
93[M
Hz]
Irr_
Offs
et
=
5[pp
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i_Do
main
= Pr
oton
Tri_
Freq
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597.
1714
4293
[MHz
]Tr
i_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 16
Tota
l_Sc
ans
=
16
Rela
xati
on_D
elay
=
5[s]
Recv
r_Ga
in
=
36Te
mp_G
et
= 24
.2[d
C]X_
90_W
idth
= 7.
15[u
s]X_
Acq_
Time
= 1.
4627
6352
[s]
X_An
gle
=
45[d
eg]
X_At
n
=
2.8[
dB]
X_Pu
lse
=
3.57
5[us
]Ir
r_Mo
de
= Of
fTr
i_Mo
de
= Of
fDa
nte_
Pres
at
= FA
LSE
Init
ial_
Wait
=
1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
O
O2
3
O
O
O C3-3’
S3
abundance01.02.03.04.05.06.07.08.09.010.011.012.013.014.015.016.017.018.019.020.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.269
5.2245.2175.2115.2045.199
4.3564.3354.3304.1694.1564.1363.4263.3323.3263.3193.3123.305
2.1092.055
1.4871.4421.4341.4281.4220.9400.9270.916
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3.08
3.00
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Prot
onDi
m_Un
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Dime
nsio
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XSi
te
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M-EC
A600
Spec
trom
eter
=
DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4627
6352
[s]
X_Do
main
=
1HX_
Freq
= 59
7.17
1442
93[M
Hz]
X_Of
fset
=
5[pp
m]X_
Poin
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384
X_Pr
esca
ns
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6836
375[
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X_Sw
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11.2
0071
685[
kHz]
X_Sw
eep_
Clip
ped
=
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0573
48[k
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Irr_
Doma
in
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Prot
onIr
r_Fr
eq
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7.17
1442
93[M
Hz]
Irr_
Offs
et
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5[pp
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i_Do
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oton
Tri_
Freq
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597.
1714
4293
[MHz
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i_Of
fset
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Clip
ped
=
FALS
ESc
ans
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Tota
l_Sc
ans
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16
Rela
xati
on_D
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5[s]
Recv
r_Ga
in
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34Te
mp_G
et
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.1[d
C]X_
90_W
idth
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15[u
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4627
6352
[s]
X_An
gle
=
45[d
eg]
X_At
n
=
2.8[
dB]
X_Pu
lse
=
3.57
5[us
]Ir
r_Mo
de
= Of
fTr
i_Mo
de
= Of
fDa
nte_
Pres
at
= FA
LSE
Init
ial_
Wait
=
1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
S4
23
O
O
O
O
O
C3-5’
abundance01.02.03.04.05.06.07.08.09.010.011.012.013.014.015.016.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.268
5.0775.0715.0695.0635.0585.0555.0505.0365.0304.1354.1264.1164.1034.0904.085
3.4133.3863.2923.1963.1933.1913.187
2.0842.0742.0562.0421.9401.9381.9281.5081.4951.4920.9740.9620.9490.9320.919
0.000
3.11
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2.94 2.90
2.15
2.08
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sing
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oton
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=
Prot
onDi
m_Un
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Dime
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=
XSi
te
= JN
M-EC
A600
Spec
trom
eter
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DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4627
6352
[s]
X_Do
main
=
1HX_
Freq
= 59
7.17
1442
93[M
Hz]
X_Of
fset
=
5[pp
m]X_
Poin
ts
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384
X_Pr
esca
ns
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luti
on
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6836
375[
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X_Sw
eep
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11.2
0071
685[
kHz]
X_Sw
eep_
Clip
ped
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8.96
0573
48[k
Hz]
Irr_
Doma
in
=
Prot
onIr
r_Fr
eq
= 59
7.17
1442
93[M
Hz]
Irr_
Offs
et
=
5[pp
m]Tr
i_Do
main
= Pr
oton
Tri_
Freq
=
597.
1714
4293
[MHz
]Tr
i_Of
fset
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Clip
ped
=
FALS
ESc
ans
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Tota
l_Sc
ans
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16
Rela
xati
on_D
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5[s]
Recv
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36Te
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.3[d
C]X_
90_W
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15[u
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4627
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[s]
X_An
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X_At
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X_Pu
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5[us
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fDa
nte_
Pres
at
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LSE
Init
ial_
Wait
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1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
S5
C4-7’
O
O4
3
O
O
O
C3-7’
O
O4
3
O
O
OC4
: C3
= 1
5.1
: 1
abundance01.02.03.04.05.06.07.08.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.2977.271
5.1525.1455.1375.1305.1234.9334.9264.918
4.1134.1024.0913.976
3.4363.3553.3493.1313.1293.1253.123
2.0902.0812.0552.0501.9581.6401.5281.5161.504
0.9630.9500.9380.9230.910
0.0260.000
-0.006
3.00
2.92
1.81 1.57
1.47
1.46
1.431.20 1.12
0.70
0.70
0.58
0.53 0.30 0.29
0.27
0.27
0.26
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Author = delta
Experiment = proton.jxp
Sample_Id = DN-0681-0690-cis34epo-me-
Solvent = CHLOROFORM-D
Actual_Start_Time = 31-OCT-2017 10:16:52
Revision_Time = 28-FEB-2019 22:31:36
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X_Domain = 1H
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Tri_Offset = 5[ppm]
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S6
C4 :
C3 =
7 :
3
O
O4
3
O
O
O
C4-9’
O
O4
3
O
O
C3-9’
O
abundance01.02.03.04.05.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.3667.3537.3457.3167.3057.2967.2907.2617.259
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0.000
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sing
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oton
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Prot
onDi
m_Un
its
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Dime
nsio
ns
=
XSi
te
= JN
M-EC
A600
Spec
trom
eter
=
DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
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Acq_
Dura
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4627
6352
[s]
X_Do
main
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1442
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Irr_
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Prot
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7.17
1442
93[M
Hz]
Irr_
Offs
et
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i_Do
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oton
Tri_
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1714
4293
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Clip
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Tota
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ans
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Rela
xati
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Recv
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idth
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15[u
s]X_
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Time
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4627
6352
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X_An
gle
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45[d
eg]
X_At
n
=
2.8[
dB]
X_Pu
lse
=
3.57
5[us
]Ir
r_Mo
de
= Of
fTr
i_Mo
de
= Of
fDa
nte_
Pres
at
= FA
LSE
Init
ial_
Wait
=
1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
S7
OPh
OH
O
anti-15
abundance00.10.20.30.40.50.60.70.80.91.01.11.21.3
X :
parts
per
Mill
ion
: Car
bon1
3
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
137.789128.430127.771127.723
77.22077.00076.79073.28569.71364.56558.78753.487
18.704
Filename = DN-1070-epodownanti-ptlc-
Author = delta
Experiment = carbon.jxp
Sample_Id = DN-1070-epodownanti-ptlc
Solvent = CHLOROFORM-D
Actual_Start_Time = 19-OCT-2018 19:38:14
Revision_Time = 25-OCT-2018 09:45:06
Comment = single pulse decoupled ga
Data_Format = 1D COMPLEX
Dim_Size = 26214
X_Domain = Carbon
Dim_Title = Carbon13
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 0.69730304[s]
X_Domain = 13C
X_Freq = 150.1588632[MHz]
X_Offset = 100[ppm]
X_Points = 32768
X_Prescans = 4
X_Resolution = 1.43409672[Hz]
X_Sweep = 46.9924812[kHz]
X_Sweep_Clipped = 37.59398496[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Clipped = TRUE
Scans = 1024
Total_Scans = 1024
Relaxation_Delay = 2[s]
Recvr_Gain = 58
Temp_Get = 24.5[dC]
X_90_Width = 11.6[us]
X_Acq_Time = 0.69730304[s]
X_Angle = 30[deg]
X_Atn = 8[dB]
X_Pulse = 3.86666667[us]
Irr_Atn_Dec = 23.33[dB]
Irr_Atn_Noe = 23.33[dB]
Irr_Noise = WALTZ
Irr_Pwidth = 76[us]
Decoupling = TRUE
Initial_Wait = 1[s]
Noe = TRUE
Noe_Time = 2[s]
Repetition_Time = 2.69730304[s]
S8
OPh
OH
O
anti-15
S9
abundance01.02.03.04.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
8.2928.2788.2218.207
7.3667.3527.3407.3277.3087.2977.2917.2877.259
5.1245.1155.1035.0935.0834.6074.5864.5734.553
3.7843.7693.7643.5743.5663.2503.2013.1923.1863.1813.1333.126
1.5681.4801.4691.4321.422
0.000
5.30
3.21
2.22
2.21
2.21
2.06
1.081.05
1.00
0.23
Filename = DN-1072-epo-MITSUNOBU-GPC
Author = delta
Experiment = proton.jxp
Sample_Id = DN-1072-epo-MITSUNOBU-GPC
Solvent = CHLOROFORM-D
Actual_Start_Time = 2-NOV-2018 17:47:13
Revision_Time = 2-NOV-2018 18:29:36
Comment = single_pulse
Data_Format = 1D REAL
Dim_Size = 13107
X_Domain = Proton
Dim_Title = Proton
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 1.46276352[s]
X_Domain = 1H
X_Freq = 597.17144293[MHz]
X_Offset = 5[ppm]
X_Points = 16384
X_Prescans = 1
X_Resolution = 0.6836375[Hz]
X_Sweep = 11.20071685[kHz]
X_Sweep_Clipped = 8.96057348[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Tri_Domain = Proton
Tri_Freq = 597.17144293[MHz]
Tri_Offset = 5[ppm]
Clipped = FALSE
Scans = 16
Total_Scans = 16
Relaxation_Delay = 5[s]
Recvr_Gain = 42
Temp_Get = 24.1[dC]
X_90_Width = 7.15[us]
X_Acq_Time = 1.46276352[s]
X_Angle = 45[deg]
X_Atn = 2.8[dB]
X_Pulse = 3.575[us]
Irr_Mode = Off
Tri_Mode = Off
Dante_Presat = FALSE
Initial_Wait = 1[s]
Repetition_Time = 6.46276352[s]
OPh
O
O
O
NO2
20
abundance00.10.20.30.40.50.60.70.80.91.01.11.21.31.41.51.6
X :
parts
per
Mill
ion
: 13C
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
163.862
150.630
137.647135.425130.829128.464127.861127.727123.524
77.21177.00076.78973.41971.90669.216
56.80754.901
16.727
Filename = DN-1072-epo-MITSUNOBU-ptl
Author = gosei
Experiment = single_pulse_dec
Sample_Id = dn
Solvent = CHLOROFORM-D
Actual_Start_Time = 24-OCT-2018 00:56:46
Revision_Time = 25-OCT-2018 10:10:00
Comment = single pulse decoupled ga
Data_Format = 1D COMPLEX
Dim_Size = 26214
X_Domain = 13C
Dim_Title = 13C
Dim_Units = [ppm]
Dimensions = X
Site = ECA600
Spectrometer = JNM-ECA600
Field_Strength = 14.09636928[T] (600[MHz])
X_Acq_Duration = 0.69206016[s]
X_Domain = 13C
X_Freq = 150.91343039[MHz]
X_Offset = 100[ppm]
X_Points = 32768
X_Prescans = 4
X_Resolution = 1.44496109[Hz]
X_Sweep = 47.34848485[kHz]
Irr_Domain = 1H
Irr_Freq = 600.1723046[MHz]
Irr_Offset = 5[ppm]
Clipped = TRUE
Scans = 1024
Total_Scans = 1024
Relaxation_Delay = 2[s]
Recvr_Gain = 58
Temp_Get = 26.1[dC]
X_90_Width = 14.8[us]
X_Acq_Time = 0.69206016[s]
X_Angle = 30[deg]
X_Atn = 7.5[dB]
X_Pulse = 4.93333333[us]
Irr_Atn_Dec = 17.094[dB]
Irr_Atn_Noe = 17.094[dB]
Irr_Noise = WALTZ
Decoupling = TRUE
Initial_Wait = 1[s]
Noe = TRUE
Noe_Time = 2[s]
Repetition_Time = 2.69206016[s]
S10
OPh
O
O
O
NO2
20
abundance01.02.03.04.05.06.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.3667.3637.3527.3407.3047.2987.2937.2887.2837.2597.253
4.6044.6004.5854.5794.5644.5594.5444.539
3.9883.9853.747
3.510
3.1873.1832.9182.9152.9102.907
1.927
1.657
1.3001.2951.2891.2831.2571.247
0.000
5.69
3.22
2.30
1.15
1.10
1.03
1.02
1.00
0.99
0.64
0.24
66.11m
63.27m
63.00m
File
name
=
DN-1
073-
epod
owns
yn-p
tlc-
aAu
thor
= de
lta
Expe
rime
nt
=
prot
on.j
xpSa
mple
_Id
= DN
-107
3-ep
odow
nsyn
-ptl
cSo
lven
t
= CH
LORO
FORM
-DAc
tual
_Sta
rt_T
ime
= 20
-OCT
-201
8 00
:36:
05Re
visi
on_T
ime
= 27
-OCT
-201
8 00
:23:
54
Comm
ent
=
sing
le_p
ulse
Data
_For
mat
=
1D C
OMPL
EXDi
m_Si
ze
= 13
107
X_Do
main
=
Prot
onDi
m_Ti
tle
= Pr
oton
Dim_
Unit
s
=
[ppm
]Di
mens
ions
= X
Site
=
JNM-
ECA6
00Sp
ectr
omet
er
= DE
LTA2
_NMR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4627
6352
[s]
X_Do
main
=
1HX_
Freq
= 59
7.17
1442
93[M
Hz]
X_Of
fset
=
5[pp
m]X_
Poin
ts
= 16
384
X_Pr
esca
ns
=
1X_
Reso
luti
on
= 0.
6836
375[
Hz]
X_Sw
eep
=
11.2
0071
685[
kHz]
X_Sw
eep_
Clip
ped
=
8.96
0573
48[k
Hz]
Irr_
Doma
in
=
Prot
onIr
r_Fr
eq
= 59
7.17
1442
93[M
Hz]
Irr_
Offs
et
=
5[pp
m]Tr
i_Do
main
= Pr
oton
Tri_
Freq
=
597.
1714
4293
[MHz
]Tr
i_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 16
Tota
l_Sc
ans
=
16
Rela
xati
on_D
elay
=
5[s]
Recv
r_Ga
in
=
38Te
mp_G
et
= 24
.2[d
C]X_
90_W
idth
= 7.
15[u
s]X_
Acq_
Time
= 1.
4627
6352
[s]
X_An
gle
=
45[d
eg]
X_At
n
=
2.8[
dB]
X_Pu
lse
=
3.57
5[us
]Ir
r_Mo
de
= Of
fTr
i_Mo
de
= Of
fDa
nte_
Pres
at
= FA
LSE
Init
ial_
Wait
=
1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
S11
OPh
OH
O
syn-15
abundance00.10.20.30.40.50.60.70.80.91.01.11.21.31.41.5
X :
parts
per
Mill
ion
: Car
bon1
3
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
137.770128.430127.780127.723
77.21077.00076.79073.30469.57966.99159.55155.120
19.964
Filename = DN-1073-epodownsyn-ptlc_c
Author = delta
Experiment = carbon.jxp
Sample_Id = DN-1073-epodownsyn-ptlc
Solvent = CHLOROFORM-D
Actual_Start_Time = 20-OCT-2018 00:40:31
Revision_Time = 25-OCT-2018 09:54:13
Comment = single pulse decoupled ga
Data_Format = 1D COMPLEX
Dim_Size = 26214
X_Domain = Carbon
Dim_Title = Carbon13
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 0.69730304[s]
X_Domain = 13C
X_Freq = 150.1588632[MHz]
X_Offset = 100[ppm]
X_Points = 32768
X_Prescans = 4
X_Resolution = 1.43409672[Hz]
X_Sweep = 46.9924812[kHz]
X_Sweep_Clipped = 37.59398496[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Clipped = TRUE
Scans = 1024
Total_Scans = 1024
Relaxation_Delay = 2[s]
Recvr_Gain = 58
Temp_Get = 24.4[dC]
X_90_Width = 11.6[us]
X_Acq_Time = 0.69730304[s]
X_Angle = 30[deg]
X_Atn = 8[dB]
X_Pulse = 3.86666667[us]
Irr_Atn_Dec = 23.33[dB]
Irr_Atn_Noe = 23.33[dB]
Irr_Noise = WALTZ
Irr_Pwidth = 76[us]
Decoupling = TRUE
Initial_Wait = 1[s]
Noe = TRUE
Noe_Time = 2[s]
Repetition_Time = 2.69730304[s]
S12
OPh
OH
O
syn-15
abundance01.02.03.04.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.3707.3587.3457.3267.3147.3037.2927.263
4.554
3.982
3.6513.6403.6073.597
2.9022.8912.7812.774
1.6041.5921.5801.5681.5571.2321.2200.9260.9140.901
0.0020.000
5.49
4.38
3.18
3.00
2.18
2.17
1.141.07
1.00
0.890.75
0.49
Filename = DN-1077-syn-epoopen-5per-
Author = delta
Experiment = proton.jxp
Sample_Id = DN-1077-syn-epoopen-5per-
Solvent = CHLOROFORM-D
Actual_Start_Time = 2-NOV-2018 17:58:58
Revision_Time = 2-NOV-2018 19:02:48
Comment = single_pulse
Data_Format = 1D REAL
Dim_Size = 13107
X_Domain = Proton
Dim_Title = Proton
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 1.46276352[s]
X_Domain = 1H
X_Freq = 597.17144293[MHz]
X_Offset = 5[ppm]
X_Points = 16384
X_Prescans = 1
X_Resolution = 0.6836375[Hz]
X_Sweep = 11.20071685[kHz]
X_Sweep_Clipped = 8.96057348[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Tri_Domain = Proton
Tri_Freq = 597.17144293[MHz]
Tri_Offset = 5[ppm]
Clipped = FALSE
Scans = 16
Total_Scans = 16
Relaxation_Delay = 5[s]
Recvr_Gain = 36
Temp_Get = 24.1[dC]
X_90_Width = 7.15[us]
X_Acq_Time = 1.46276352[s]
X_Angle = 45[deg]
X_Atn = 2.8[dB]
X_Pulse = 3.575[us]
Irr_Mode = Off
Tri_Mode = Off
Dante_Presat = FALSE
Initial_Wait = 1[s]
Repetition_Time = 6.46276352[s]
S13
OPh
OH
OH
O14
abundance00.10.20.30.40.50.60.70.80.91.01.11.21.31.41.51.61.7
X :
parts
per
Mill
ion
: 13C
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
137.647128.484127.871127.679
79.89277.21177.00076.78974.67373.61172.85469.73366.755
23.23819.561
10.532
Filename = DN-1077-alcholysis-propan
Author = gosei
Experiment = single_pulse_dec
Sample_Id = dn
Solvent = CHLOROFORM-D
Actual_Start_Time = 23-OCT-2018 20:34:12
Revision_Time = 25-OCT-2018 10:16:17
Comment = single pulse decoupled ga
Data_Format = 1D COMPLEX
Dim_Size = 26214
X_Domain = 13C
Dim_Title = 13C
Dim_Units = [ppm]
Dimensions = X
Site = ECA600
Spectrometer = JNM-ECA600
Field_Strength = 14.09636928[T] (600[MHz])
X_Acq_Duration = 0.69206016[s]
X_Domain = 13C
X_Freq = 150.91343039[MHz]
X_Offset = 100[ppm]
X_Points = 32768
X_Prescans = 4
X_Resolution = 1.44496109[Hz]
X_Sweep = 47.34848485[kHz]
Irr_Domain = 1H
Irr_Freq = 600.1723046[MHz]
Irr_Offset = 5[ppm]
Clipped = FALSE
Scans = 1024
Total_Scans = 1024
Relaxation_Delay = 2[s]
Recvr_Gain = 58
Temp_Get = 26.2[dC]
X_90_Width = 14.8[us]
X_Acq_Time = 0.69206016[s]
X_Angle = 30[deg]
X_Atn = 7.5[dB]
X_Pulse = 4.93333333[us]
Irr_Atn_Dec = 17.094[dB]
Irr_Atn_Noe = 17.094[dB]
Irr_Noise = WALTZ
Decoupling = TRUE
Initial_Wait = 1[s]
Noe = TRUE
Noe_Time = 2[s]
Repetition_Time = 2.69206016[s]
S14
OPh
OH
OH
O14
abundance00.10.20.30.40.50.60.70.80.91.01.11.2
X :
parts
per
Mill
ion
: 1H
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.3447.3367.3007.2937.2867.2797.2727.2707.2647.258
4.5874.5664.5454.0824.0794.0693.7113.7063.6703.6673.6563.6543.5643.5463.451
1.6061.6041.5931.5811.5691.5581.5561.4001.360
0.9280.9150.903
0.000
3.79
3.03
3.00 2.83 2.822.46
1.92
1.77
1.03
0.980.96 0.96
0.93
0.92
File
name
=
DN-1
038-
ptlc
-an_
prot
on-2
.Au
thor
= de
lta
Expe
rime
nt
=
sing
le_p
ulse
.ex2
Samp
le_I
d
=
kmSo
lven
t
= CH
LORO
FORM
-DAc
tual
_Sta
rt_T
ime
= 14
-OCT
-201
8 21
:25:
12Re
visi
on_T
ime
= 25
-OCT
-201
8 01
:11:
37
Comm
ent
=
a-NO
NDa
ta_F
orma
t
= 1D
REA
LDi
m_Si
ze
= 52
428
X_Do
main
=
1HDi
m_Ti
tle
= 1H
Dim_
Unit
s
=
[ppm
]Di
mens
ions
= X
Site
=
ECA
600S
LSp
ectr
omet
er
= JN
M-EC
A600
Fiel
d_St
reng
th
=
13.9
5540
559[
T] (
590[
MHz]
)X_
Acq_
Dura
tion
= 5.
8825
1136
[s]
X_Do
main
=
1HX_
Freq
= 59
4.17
0581
68[M
Hz]
X_Of
fset
=
5[pp
m]X_
Poin
ts
= 65
536
X_Pr
esca
ns
=
1X_
Reso
luti
on
= 0.
1699
9542
[Hz]
X_Sw
eep
=
11.1
4081
996[
kHz]
Irr_
Doma
in
=
1HIr
r_Fr
eq
= 59
4.17
0581
68[M
Hz]
Irr_
Offs
et
=
5[pp
m]Tr
i_Do
main
= 1H
Tri_
Freq
=
594.
1705
8168
[MHz
]Tr
i_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 8
Tota
l_Sc
ans
=
8
Rela
xati
on_D
elay
=
5[s]
Recv
r_Ga
in
=
38Te
mp_G
et
= 25
.4[d
C]X_
90_W
idth
= 14
[us]
X_Ac
q_Ti
me
=
5.88
2511
36[s
]X_
Angl
e
= 45
[deg
]X_
Atn
= 2.
5[dB
]X_
Puls
e
= 7[
us]
Irr_
Mode
=
Off
Tri_
Mode
=
Off
Dant
e_Pr
esat
=
FALS
EIn
itia
l_Wa
it
= 1[
s]Re
peti
tion
_Tim
e
= 10
.882
5113
6[s]
S15
OO H
OO
Ph
HH
H 14’
abundance00.10.20.30.40.50.60.70.80.91.01.11.21.31.4
X :
parts
per
Mill
ion
: Car
bon1
3
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
138.333
128.315127.570127.522
108.221
81.21280.00877.21077.00076.79075.43473.38072.88470.334
27.37526.86923.26919.248
10.624
Filename = DN-1038-acetal4noe-ptlc-a
Author = delta
Experiment = carbon.jxp
Sample_Id = DN-1038-acetal4noe-ptlc
Solvent = CHLOROFORM-D
Actual_Start_Time = 19-OCT-2018 17:24:57
Revision_Time = 25-OCT-2018 09:49:36
Comment = single pulse decoupled ga
Data_Format = 1D COMPLEX
Dim_Size = 26214
X_Domain = Carbon
Dim_Title = Carbon13
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 0.69730304[s]
X_Domain = 13C
X_Freq = 150.1588632[MHz]
X_Offset = 100[ppm]
X_Points = 32768
X_Prescans = 4
X_Resolution = 1.43409672[Hz]
X_Sweep = 46.9924812[kHz]
X_Sweep_Clipped = 37.59398496[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Clipped = TRUE
Scans = 1024
Total_Scans = 1024
Relaxation_Delay = 2[s]
Recvr_Gain = 58
Temp_Get = 24.6[dC]
X_90_Width = 11.6[us]
X_Acq_Time = 0.69730304[s]
X_Angle = 30[deg]
X_Atn = 8[dB]
X_Pulse = 3.86666667[us]
Irr_Atn_Dec = 23.33[dB]
Irr_Atn_Noe = 23.33[dB]
Irr_Noise = WALTZ
Irr_Pwidth = 76[us]
Decoupling = TRUE
Initial_Wait = 1[s]
Noe = TRUE
Noe_Time = 2[s]
Repetition_Time = 2.69730304[s]
S16
OO H
OO
Ph
HH
H 14’
X :
parts
per
Mill
ion
: 1H
4.0
3.0
2.0
1.0
Y : parts per Million : 1H4.03.02.01.0
abun
danc
e0.
10.
30.
50.
7 3.79
3.03
3.00
2.83
2.82
2.46
1.92
1.77
1.03
0.98
0.96
0.96
0.93
0.92
abundance0.10.30.50.7
3.79
3.03
3.002.83 2.82
2.46
1.92
1.77
1.03
0.98
0.96 0.96
0.93
0.92
Filename = DN-1038-ptlc_cosy-2.jdf
Author = delta
Experiment = cosy.ex2
Sample_Id = km
Solvent = CHLOROFORM-D
Actual_Start_Time = 14-OCT-2018 21:27:42
Revision_Time = 6-NOV-2018 09:43:35
Comment = absolute value COSY
Data_Format = 2D REAL REAL
Dim_Size = 1024, 1024
X_Domain = 1H
Y_Domain = 1H
Dim_Title = 1H 1H
Dim_Units = [ppm] [ppm]
Dimensions = X Y
Site = ECA 600SL
Spectrometer = JNM-ECA600
Field_Strength = 13.95540559[T] (590[MHz])
X_Acq_Duration = 0.3446784[s]
X_Domain = 1H
X_Freq = 594.17058168[MHz]
X_Offset = 2.5[ppm]
X_Points = 1280
X_Prescans = 4
X_Resolution = 2.9012552[Hz]
X_Sweep = 3.71360665[kHz]
Y_Domain = 1H
Y_Freq = 594.17058168[MHz]
Y_Offset = 2.5[ppm]
Y_Points = 256
Y_Prescans = 0
Y_Resolution = 11.6050208[Hz]
Y_Sweep = 2.97088532[kHz]
Irr_Domain = 1H
Irr_Freq = 594.17058168[MHz]
Irr_Offset = 5[ppm]
Tri_Domain = 1H
Tri_Freq = 594.17058168[MHz]
Tri_Offset = 5[ppm]
Clipped = FALSE
Scans = 4
Total_Scans = 1024
Relaxation_Delay = 1.5[s]
Recvr_Gain = 34
Temp_Get = 25.4[dC]
X_90_Width = 14[us]
X_Acq_Time = 0.3446784[s]
X_Atn = 2.5[dB]
X_Pulse = 14[us]
Y_Acq_Time = 86.1696[ms]
Irr_Mode = Off
Tri_Mode = Off
Dante_Presat = FALSE
Delta = 0[ms]
Initial_Wait = 1[s]
Pulse_1 = 14[us]
Pulse_2 = 14[us]
Pulse_Angle_1 = 90[deg]
S17
OO H
OO
Ph
HH
H 14’
X :
parts
per
Mill
ion
: 1H
4.0
3.0
2.0
1.0
Y : parts per Million : 1H4.03.02.01.0
X :
parts
per
Mill
ion
: 1H
3.7
3.6
3.5
3.4
Y : parts per Million : 1H3.83.73.63.53.4
abun
danc
e1.
0
3.79
3.03
3.00
2.83
2.82
2.46
1.92
1.77
1.03
0.98
0.96
0.96
0.93
0.92
abundance1.0
3.79
3.03
3.002.83 2.82
2.46
1.92
1.77
1.03
0.98
0.96 0.96
0.93
0.92
Filename = DN-1038-ptlc_noesy-2.jdf
Author = delta
Experiment = noesy_phase.ex2
Sample_Id = km
Solvent = CHLOROFORM-D
Actual_Start_Time = 14-OCT-2018 22:55:57
Revision_Time = 6-NOV-2018 09:58:45
Comment = phase sensitive noesy
Data_Format = 2D COMPLEX COMPLEX
Dim_Size = 819, 512
X_Domain = 1H
Y_Domain = 1H
Dim_Title = 1H 1H
Dim_Units = [ppm] [ppm]
Dimensions = X Y
Site = ECA 600SL
Spectrometer = JNM-ECA600
Field_Strength = 13.95540559[T] (590[MHz])
X_Acq_Duration = 0.2756608[s]
X_Domain = 1H
X_Freq = 594.17058168[MHz]
X_Offset = 2.5[ppm]
X_Points = 1024
X_Prescans = 4
X_Resolution = 3.62764673[Hz]
X_Sweep = 3.71471025[kHz]
Y_Domain = 1H
Y_Freq = 594.17058168[MHz]
Y_Offset = 2.5[ppm]
Y_Points = 256
Y_Prescans = 0
Y_Resolution = 11.6050208[Hz]
Y_Sweep = 2.97088532[kHz]
Irr_Domain = 1H
Irr_Freq = 594.17058168[MHz]
Irr_Offset = 5[ppm]
Tri_Domain = 1H
Tri_Freq = 594.17058168[MHz]
Tri_Offset = 5[ppm]
Clipped = FALSE
Scans = 8
Total_Scans = 2048
Relaxation_Delay = 1.5[s]
Recvr_Gain = 34
Temp_Get = 25.4[dC]
Mix_Time = 1.4[s]
X_Acq_Time = 0.2756608[s]
X_Atn = 2.5[dB]
X_Pulse = 14[us]
Y_Acq_Time = 86.1696[ms]
Y_P0_Correction = 0
Y_P1_Correction = 180
Irr_Mode = Off
Tri_Mode = Off
Dante_Presat = FALSE
Initial_Wait = 1[s]
Repetition_Time = 1.7756608[s]
Scramble = 1[ms]
S18
OO H
OO
Ph
HH
H 14’
abundance01.02.03.04.05.06.0
X :
parts
per
Mill
ion
: 1H
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.3517.3497.3377.3357.3247.3117.2877.2767.2717.2607.2557.246
4.7804.7724.7644.5504.5314.4723.8933.8833.7443.7373.5343.5193.4093.3983.394
2.274
1.6301.6181.6061.5941.583
0.9240.9120.899
-0.006
7.30
3.39
3.20
2.54
1.27
1.16
1.05
1.01
1.00
0.980.95
File
name
=
DN-1
081-
AZAD
OX-d
iket
one-
pAu
thor
= go
sei
Expe
rime
nt
=
sing
le_p
ulse
.ex2
Samp
le_I
d
=
dnSo
lven
t
= CH
LORO
FORM
-DAc
tual
_Sta
rt_T
ime
= 24
-OCT
-201
8 02
:52:
49Re
visi
on_T
ime
= 26
-OCT
-201
8 21
:30:
39
Comm
ent
=
sing
le_p
ulse
Data
_For
mat
=
1D R
EAL
Dim_
Size
=
1310
7X_
Doma
in
= 1H
Dim_
Titl
e
=
1HDi
m_Un
its
= [p
pm]
Dime
nsio
ns
=
XSi
te
= EC
A600
Spec
trom
eter
=
JNM-
ECA6
00
Fiel
d_St
reng
th
=
14.0
9636
928[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4548
992[
s]X_
Doma
in
= 1H
X_Fr
eq
=
600.
1723
046[
MHz]
X_Of
fset
=
5[pp
m]X_
Poin
ts
= 16
384
X_Pr
esca
ns
=
1X_
Reso
luti
on
= 0.
6873
3284
[Hz]
X_Sw
eep
=
11.2
6126
126[
kHz]
Irr_
Doma
in
=
1HIr
r_Fr
eq
= 60
0.17
2304
6[MH
z]Ir
r_Of
fset
= 5[
ppm]
Tri_
Doma
in
=
1HTr
i_Fr
eq
= 60
0.17
2304
6[MH
z]Tr
i_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 16
Tota
l_Sc
ans
=
16
Rela
xati
on_D
elay
=
5[s]
Recv
r_Ga
in
=
40Te
mp_G
et
= 24
.9[d
C]X_
90_W
idth
= 15
.1[u
s]X_
Acq_
Time
= 1.
4548
992[
s]X_
Angl
e
= 45
[deg
]X_
Atn
= 3[
dB]
X_Pu
lse
=
7.55
[us]
Irr_
Mode
=
Off
Tri_
Mode
=
Off
Dant
e_Pr
esat
=
FALS
EIn
itia
l_Wa
it
= 1[
s]Re
peti
tion
_Tim
e
= 6.
4548
992[
s]
S19
OPh
O
O
O 13
abundance00.10.20.30.40.50.60.70.80.91.01.1
X :
parts
per
Mill
ion
: 13C
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
199.184197.977
137.398128.388127.823127.775
79.48077.21177.00076.78973.61173.15170.020
24.21422.970
10.388
File
name
=
DN-1
081-
AZAD
OX-d
iket
one-
pAu
thor
= go
sei
Expe
rime
nt
=
sing
le_p
ulse
_dec
Samp
le_I
d
=
dnSo
lven
t
= CH
LORO
FORM
-DAc
tual
_Sta
rt_T
ime
= 24
-OCT
-201
8 02
:57:
58Re
visi
on_T
ime
= 25
-OCT
-201
8 10
:03:
16
Comm
ent
=
sing
le p
ulse
dec
oupl
ed g
aDa
ta_F
orma
t
= 1D
COM
PLEX
Dim_
Size
=
2621
4X_
Doma
in
= 13
CDi
m_Ti
tle
= 13
CDi
m_Un
its
= [p
pm]
Dime
nsio
ns
=
XSi
te
= EC
A600
Spec
trom
eter
=
JNM-
ECA6
00
Fiel
d_St
reng
th
=
14.0
9636
928[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 0.
6920
6016
[s]
X_Do
main
=
13C
X_Fr
eq
=
150.
9134
3039
[MHz
]X_
Offs
et
= 10
0[pp
m]X_
Poin
ts
= 32
768
X_Pr
esca
ns
=
4X_
Reso
luti
on
= 1.
4449
6109
[Hz]
X_Sw
eep
=
47.3
4848
485[
kHz]
Irr_
Doma
in
=
1HIr
r_Fr
eq
= 60
0.17
2304
6[MH
z]Ir
r_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 10
24To
tal_
Scan
s
= 10
24
Rela
xati
on_D
elay
=
2[s]
Recv
r_Ga
in
=
56Te
mp_G
et
= 26
.3[d
C]X_
90_W
idth
= 14
.8[u
s]X_
Acq_
Time
= 0.
6920
6016
[s]
X_An
gle
=
30[d
eg]
X_At
n
=
7.5[
dB]
X_Pu
lse
=
4.93
3333
33[u
s]Ir
r_At
n_De
c
= 17
.094
[dB]
Irr_
Atn_
Noe
=
17.0
94[d
B]Ir
r_No
ise
= WA
LTZ
Deco
upli
ng
=
TRUE
Init
ial_
Wait
=
1[s]
Noe
=
TRUE
Noe_
Time
=
2[s]
Repe
titi
on_T
ime
=
2.69
2060
16[s
]
S20
OPh
O
O
O 13
S21
abundance01.02.03.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.261
4.2984.1733.9533.9383.8653.8533.8353.7703.7553.6183.6053.5493.5373.5033.4923.4413.429
2.3262.3072.154
1.6021.5901.5331.4451.2540.9770.9410.9280.9160.904
0.000
8.15
7.81
4.36
3.52
3.05
2.32
1.55
1.51
1.48
1.47
1.411.31
1.24
1.07
0.83
0.82
0.76
0.68
0.470.46
0.45
0.41
0.26 0.25
0.20
0.18
Filename = DN-1219-PdCdeBn-AD-Diketo
Author = delta
Experiment = proton.jxp
Sample_Id = DN-1211-PdCdeBn-AD-Diketo
Solvent = CHLOROFORM-D
Actual_Start_Time = 20-FEB-2019 00:13:39
Revision_Time = 27-FEB-2019 14:10:05
Comment = single_pulse
Data_Format = 1D REAL
Dim_Size = 13107
X_Domain = Proton
Dim_Title = Proton
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 1.46276352[s]
X_Domain = 1H
X_Freq = 597.17144293[MHz]
X_Offset = 5[ppm]
X_Points = 16384
X_Prescans = 1
X_Resolution = 0.6836375[Hz]
X_Sweep = 11.20071685[kHz]
X_Sweep_Clipped = 8.96057348[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Tri_Domain = Proton
Tri_Freq = 597.17144293[MHz]
Tri_Offset = 5[ppm]
Clipped = FALSE
Scans = 128
Total_Scans = 128
Relaxation_Delay = 5[s]
Recvr_Gain = 50
Temp_Get = 24.2[dC]
X_90_Width = 7.15[us]
X_Acq_Time = 1.46276352[s]
X_Angle = 45[deg]
X_Atn = 2.8[dB]
X_Pulse = 3.575[us]
Irr_Mode = Off
Tri_Mode = Off
Dante_Presat = FALSE
Initial_Wait = 1[s]
Repetition_Time = 6.46276352[s]
HOO
OH
O
17
S22
HOO
OH
O
17
(thousandths)010.020.030.040.050.060.0
X :
parts
per
Mill
ion
: Car
bon1
3
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
208.243
79.47477.21077.00076.79072.215
60.974
26.26823.15423.068
10.547
-0.015
Filena
me
=
DN-1
219-P
dCdeB
n-AD
-Dike
to
Author
=
delt
aExperi
ment
=
carb
on.jx
pSample
_Id
=
DN-1
211-P
dCdeB
n-AD
-Dike
to
Solven
t
=
CHLO
ROFOR
M-D
Actual
_Star
t_Ti
me =
20-F
EB-20
19 00
:49:
52
Revisi
on_Ti
me
=
27-F
EB-20
19 12
:29:
02
Commen
t
=
sing
le pu
lse d
ecou
pled
ga
Data_F
ormat
=
1D R
EAL
Dim_Si
ze
=
2621
4X_Doma
in
=
Carb
on
Dim_Ti
tle
=
Carb
on13
Dim_Un
its
=
[ppm
]Dimens
ions
=
XSite
=
JNM-
ECA60
0Spectr
omete
r
=
DELT
A2_NM
R
Field_
Stren
gth
=
14.0
25887
43[T]
(60
0[MHz
])
X_Acq_
Durat
ion
=
0.69
73030
4[s]
X_Doma
in
=
13C
X_Freq
=
150.
15886
32[MH
z]
X_Offs
et
=
100[
ppm]
X_Poin
ts
=
3276
8X_Pres
cans
=
4X_Reso
lutio
n
=
1.43
40967
2[Hz]
X_Swee
p
=
46.9
92481
2[kHz
]X_Swee
p_Cli
pped
=
37.5
93984
96[kH
z]
Irr_Do
main
=
Prot
on
Irr_Fr
eq
=
597.
17144
293[M
Hz]
Irr_Of
fset
=
5[pp
m]
Clippe
d
=
TRUE
Scans
=
1000
0Total_
Scans
=
1000
0
Relaxa
tion_
Dela
y =
2[s]
Recvr_
Gain
=
58
Temp_G
et
=
24[d
C]
X_90_W
idth
=
11.6
[us]
X_Acq_
Time
=
0.69
73030
4[s]
X_Angl
e
=
30[d
eg]
X_Atn
=
8[dB
]X_Puls
e
=
3.86
66666
7[us]
Irr_At
n_Dec
=
23.3
3[dB]
Irr_At
n_Noe
=
23.3
3[dB]
Irr_No
ise
=
WALT
ZIrr_Pw
idth
=
76[u
s]
Decoup
ling
=
TRUE
Initia
l_Wai
t
=
1[s]
Noe
=
TRUE
Noe_Ti
me
=
2[s]
Repeti
tion_
Time
=
2.69
73030
4[s]
abundance00.10.20.30.40.50.60.70.80.91.01.11.21.31.41.51.61.71.81.92.02.12.22.32.42.52.6
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.295
4.3154.3064.2964.285
4.0383.6023.5993.4193.3213.2913.243
2.9582.6982.6852.3822.3172.0432.032
1.6471.6361.4621.284
0.9680.9560.9470.944
0.1000.0310.029
9.90
8.92
8.474.01
3.48
3.00
2.78
2.72
2.43
1.78
1.75
1.04
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0.95
0.95
0.92
0.66
0.62
0.60
0.38
0.37
0.30
0.21
0.17
File
name
=
DN-1
223-
MeAc
-clm
_pro
ton-
aAu
thor
= de
lta
Expe
rime
nt
=
prot
on.j
xpSa
mple
_Id
= DN
-122
0-Me
Ac-c
lmSo
lven
t
= CH
LORO
FORM
-DAc
tual
_Sta
rt_T
ime
= 21
-FEB
-201
9 23
:11:
43Re
visi
on_T
ime
= 27
-FEB
-201
9 12
:03:
08
Comm
ent
=
sing
le_p
ulse
Data
_For
mat
=
1D R
EAL
Dim_
Size
=
1310
7X_
Doma
in
= Pr
oton
Dim_
Titl
e
=
Prot
onDi
m_Un
its
= [p
pm]
Dime
nsio
ns
=
XSi
te
= JN
M-EC
A600
Spec
trom
eter
=
DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4627
6352
[s]
X_Do
main
=
1HX_
Freq
= 59
7.17
1442
93[M
Hz]
X_Of
fset
=
5[pp
m]X_
Poin
ts
= 16
384
X_Pr
esca
ns
=
1X_
Reso
luti
on
= 0.
6836
375[
Hz]
X_Sw
eep
=
11.2
0071
685[
kHz]
X_Sw
eep_
Clip
ped
=
8.96
0573
48[k
Hz]
Irr_
Doma
in
=
Prot
onIr
r_Fr
eq
= 59
7.17
1442
93[M
Hz]
Irr_
Offs
et
=
5[pp
m]Tr
i_Do
main
= Pr
oton
Tri_
Freq
=
597.
1714
4293
[MHz
]Tr
i_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 12
8To
tal_
Scan
s
= 12
8
Rela
xati
on_D
elay
=
5[s]
Recv
r_Ga
in
=
40Te
mp_G
et
= 24
.1[d
C]X_
90_W
idth
= 7.
15[u
s]X_
Acq_
Time
= 1.
4627
6352
[s]
X_An
gle
=
45[d
eg]
X_At
n
=
2.8[
dB]
X_Pu
lse
=
3.57
5[us
]Ir
r_Mo
de
= Of
fTr
i_Mo
de
= Of
fDa
nte_
Pres
at
= FA
LSE
Init
ial_
Wait
=
1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
S23
OOMe
O
18OH
S24
OOMe
O
18OH
abundance-0.0100.010.020.030.040.050.060.070.080.090.10.110.120.130.140.150.160.170.18
X :
parts
per
Mill
ion
: Car
bon1
3
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
108.469104.601
86.29385.16683.20877.22077.00076.79072.29271.41369.63768.844
48.36848.091
29.68723.05922.97318.85616.78416.09610.56710.481
File
name
=
DN-1
223-
MeAc
-clm
_car
bon-
aAu
thor
= de
lta
Expe
rime
nt
=
carb
on.j
xpSa
mple
_Id
= DN
-122
0-Me
Ac-c
lmSo
lven
t
= CH
LORO
FORM
-DAc
tual
_Sta
rt_T
ime
= 21
-FEB
-201
9 23
:29:
38Re
visi
on_T
ime
= 27
-FEB
-201
9 21
:10:
02
Comm
ent
=
sing
le p
ulse
dec
oupl
ed g
aDa
ta_F
orma
t
= 1D
REA
LDi
m_Si
ze
= 26
214
X_Do
main
=
Carb
onDi
m_Ti
tle
= Ca
rbon
13Di
m_Un
its
= [p
pm]
Dime
nsio
ns
=
XSi
te
= JN
M-EC
A600
Spec
trom
eter
=
DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 0.
6973
0304
[s]
X_Do
main
=
13C
X_Fr
eq
=
150.
1588
632[
MHz]
X_Of
fset
=
100[
ppm]
X_Po
ints
=
3276
8X_
Pres
cans
= 4
X_Re
solu
tion
=
1.43
4096
72[H
z]X_
Swee
p
= 46
.992
4812
[kHz
]X_
Swee
p_Cl
ippe
d
= 37
.593
9849
6[kH
z]Ir
r_Do
main
= Pr
oton
Irr_
Freq
=
597.
1714
4293
[MHz
]Ir
r_Of
fset
= 5[
ppm]
Clip
ped
=
TRUE
Scan
s
=
1024
Tota
l_Sc
ans
=
1024
Rela
xati
on_D
elay
=
2[s]
Recv
r_Ga
in
=
58Te
mp_G
et
= 24
.3[d
C]X_
90_W
idth
= 11
.6[u
s]X_
Acq_
Time
= 0.
6973
0304
[s]
X_An
gle
=
30[d
eg]
X_At
n
=
8[dB
]X_
Puls
e
= 3.
8666
6667
[us]
Irr_
Atn_
Dec
=
23.3
3[dB
]Ir
r_At
n_No
e
= 23
.33[
dB]
Irr_
Nois
e
=
WALT
ZIr
r_Pw
idth
= 76
[us]
Deco
upli
ng
=
TRUE
Init
ial_
Wait
=
1[s]
Noe
=
TRUE
Noe_
Time
=
2[s]
Repe
titi
on_T
ime
=
2.69
7303
04[s
]
abundance01.02.03.04.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.266
4.3484.3234.3124.3104.3064.3034.2954.2934.0154.0123.999
3.4943.3363.3073.3053.2943.2793.276
1.6381.6271.6151.6041.5911.5721.5701.4041.256
0.9350.9230.9100.883
0.000
6.11
5.82
4.423.13
3.00
1.71
1.661.66
1.63
1.121.12
1.03
1.02
0.89
0.76 0.61
0.54
0.36
0.27
0.22
0.20
0.16
File
name
=
DN-1
224-
MeAc
al-O
x-cl
m-2d
iAu
thor
= de
lta
Expe
rime
nt
=
prot
on.j
xpSa
mple
_Id
= DN
-122
x-Me
Acal
-Ox-
clm-
2di
Solv
ent
=
CHLO
ROFO
RM-D
Actu
al_S
tart
_Tim
e =
23-F
EB-2
019
11:2
0:54
Revi
sion
_Tim
e
=
27-F
EB-2
019
19:4
7:28
Comm
ent
=
sing
le_p
ulse
Data
_For
mat
=
1D R
EAL
Dim_
Size
=
1310
7X_
Doma
in
= Pr
oton
Dim_
Titl
e
=
Prot
onDi
m_Un
its
= [p
pm]
Dime
nsio
ns
=
XSi
te
= JN
M-EC
A600
Spec
trom
eter
=
DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4627
6352
[s]
X_Do
main
=
1HX_
Freq
= 59
7.17
1442
93[M
Hz]
X_Of
fset
=
5[pp
m]X_
Poin
ts
= 16
384
X_Pr
esca
ns
=
1X_
Reso
luti
on
= 0.
6836
375[
Hz]
X_Sw
eep
=
11.2
0071
685[
kHz]
X_Sw
eep_
Clip
ped
=
8.96
0573
48[k
Hz]
Irr_
Doma
in
=
Prot
onIr
r_Fr
eq
= 59
7.17
1442
93[M
Hz]
Irr_
Offs
et
=
5[pp
m]Tr
i_Do
main
= Pr
oton
Tri_
Freq
=
597.
1714
4293
[MHz
]Tr
i_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 12
8To
tal_
Scan
s
= 12
8
Rela
xati
on_D
elay
=
5[s]
Recv
r_Ga
in
=
42Te
mp_G
et
= 23
.9[d
C]X_
90_W
idth
= 7.
15[u
s]X_
Acq_
Time
= 1.
4627
6352
[s]
X_An
gle
=
45[d
eg]
X_At
n
=
2.8[
dB]
X_Pu
lse
=
3.57
5[us
]Ir
r_Mo
de
= Of
fTr
i_Mo
de
= Of
fDa
nte_
Pres
at
= FA
LSE
Init
ial_
Wait
=
1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
S25
OOMe
O
19O
abundance-0.010.010.030.050.070.090.110.130.150.170.190.210.230.25
X :
parts
per
Mill
ion
: Car
bon1
3
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
207.871207.097
99.74999.386
77.22077.00076.79075.69275.01372.90372.42567.74666.342
49.35149.055
29.83022.96322.88722.65717.23316.87010.37610.328
Filename = DN-1224-MeAcal-Ox-clm-2di
Author = delta
Experiment = carbon.jxp
Sample_Id = DN-122x-MeAcal-Ox-clm-2di
Solvent = CHLOROFORM-D
Actual_Start_Time = 23-FEB-2019 11:37:28
Revision_Time = 27-FEB-2019 20:01:40
Comment = single pulse decoupled ga
Data_Format = 1D REAL
Dim_Size = 26214
X_Domain = Carbon
Dim_Title = Carbon13
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 0.69730304[s]
X_Domain = 13C
X_Freq = 150.1588632[MHz]
X_Offset = 100[ppm]
X_Points = 32768
X_Prescans = 4
X_Resolution = 1.43409672[Hz]
X_Sweep = 46.9924812[kHz]
X_Sweep_Clipped = 37.59398496[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Clipped = TRUE
Scans = 1024
Total_Scans = 1024
Relaxation_Delay = 2[s]
Recvr_Gain = 58
Temp_Get = 24[dC]
X_90_Width = 11.6[us]
X_Acq_Time = 0.69730304[s]
X_Angle = 30[deg]
X_Atn = 8[dB]
X_Pulse = 3.86666667[us]
Irr_Atn_Dec = 23.33[dB]
Irr_Atn_Noe = 23.33[dB]
Irr_Noise = WALTZ
Irr_Pwidth = 76[us]
Decoupling = TRUE
Initial_Wait = 1[s]
Noe = TRUE
Noe_Time = 2[s]
Repetition_Time = 2.69730304[s]
S26
OOMe
O
19O
abundance00.10.20.30.40.50.60.70.80.91.01.11.21.31.41.51.61.71.81.92.0
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.263
4.917
4.6524.3784.0574.0514.0423.9773.9533.8123.5573.5193.503
2.6992.5152.377
2.0672.046
1.6211.5121.4761.255
0.9420.9300.9190.917
0.000
6.13
5.55
2.84
1.77
1.57
1.561.25
1.07
0.91
0.90
0.78 0.71
0.68
0.67
0.64
0.510.49
0.48
0.44
0.43
0.40
0.39
0.32
0.25
0.22
93.44m
87.74m
72.78m31.99m
Filename = DN-1225-QSEG-Clm_proton-a
Author = delta
Experiment = proton.jxp
Sample_Id = DN-1225-QSEG-Clm
Solvent = CHLOROFORM-D
Actual_Start_Time = 24-FEB-2019 19:31:29
Revision_Time = 27-FEB-2019 21:32:44
Comment = single_pulse
Data_Format = 1D COMPLEX
Dim_Size = 13107
X_Domain = Proton
Dim_Title = Proton
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 1.46276352[s]
X_Domain = 1H
X_Freq = 597.17144293[MHz]
X_Offset = 5[ppm]
X_Points = 16384
X_Prescans = 1
X_Resolution = 0.6836375[Hz]
X_Sweep = 11.20071685[kHz]
X_Sweep_Clipped = 8.96057348[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Tri_Domain = Proton
Tri_Freq = 597.17144293[MHz]
Tri_Offset = 5[ppm]
Clipped = FALSE
Scans = 64
Total_Scans = 64
Relaxation_Delay = 5[s]
Recvr_Gain = 50
Temp_Get = 24.1[dC]
X_90_Width = 7.15[us]
X_Acq_Time = 1.46276352[s]
X_Angle = 45[deg]
X_Atn = 2.8[dB]
X_Pulse = 3.575[us]
Irr_Mode = Off
Tri_Mode = Off
Dante_Presat = FALSE
Initial_Wait = 1[s]
Repetition_Time = 6.46276352[s]
S27
OOH
O
11’
HOOH
HOO
O
O 11
+ (CDC
l 3)
S28
OOH
O
11’
HOOH
HOO
O
O 11
+ (CDC
l 3)
abundance00.010.020.030.040.050.060.070.080.090.10.110.120.130.140.150.160.17
X :
parts
per
Mill
ion
: Car
bon1
3
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
198.951197.413
96.559
80.94477.22077.00076.79075.97874.67073.11372.95172.40666.38962.426
22.96322.868
10.44210.37610.318
-0.015
Filename = DN-1225-QSEG-Clm_carbon_3
Author = delta
Experiment = carbon.jxp
Sample_Id = DN-1225-QSEG-Clm
Solvent = CHLOROFORM-D
Actual_Start_Time = 24-FEB-2019 20:34:51
Revision_Time = 27-FEB-2019 16:48:52
Comment = single pulse decoupled ga
Data_Format = 1D REAL
Dim_Size = 26214
X_Domain = Carbon
Dim_Title = Carbon13
Dim_Units = [ppm]
Dimensions = X
Site = JNM-ECA600
Spectrometer = DELTA2_NMR
Field_Strength = 14.02588743[T] (600[MHz])
X_Acq_Duration = 0[s]
X_Domain = 13C
X_Freq = 150.1588632[MHz]
X_Offset = 100[ppm]
X_Points = 32768
X_Prescans = 4
X_Resolution = 1.43409672[Hz]
X_Sweep = 46.9924812[kHz]
X_Sweep_Clipped = 37.59398496[kHz]
Irr_Domain = Proton
Irr_Freq = 597.17144293[MHz]
Irr_Offset = 5[ppm]
Clipped = TRUE
Incomplete_Copy = TRUE
Scans = 3601
Total_Scans = 3601
Relaxation_Delay = 2[s]
Recvr_Gain = 58
Temp_Get = 24.3[dC]
X_90_Width = 11.6[us]
X_Acq_Time = 0.69730304[s]
X_Angle = 30[deg]
X_Atn = 8[dB]
X_Pulse = 3.86666667[us]
Irr_Atn_Dec = 23.33[dB]
Irr_Atn_Noe = 23.33[dB]
Irr_Noise = WALTZ
Irr_Pwidth = 76[us]
Decoupling = TRUE
Initial_Wait = 1[s]
Noe = TRUE
Noe_Time = 2[s]
Repetition_Time = 2.69730304[s]
abundance00.10.20.30.40.50.60.70.80.91.01.11.21.31.41.51.61.71.81.92.02.1
X :
parts
per
Mill
ion
: Pro
ton
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
7.266
4.7214.6634.6564.649
4.3794.0594.0504.0393.9463.9403.8143.5713.5563.5133.510
2.3782.3502.3242.2452.047
1.6221.5081.4711.255
0.9420.9310.9190.881
0.000
6.06
4.87
3.62
2.26
1.89
1.69
1.66
1.39
1.11
1.04
0.86 0.80
0.73
0.60
0.57
0.56
0.54
0.49
0.46
0.40
0.38
0.33
0.26
File
name
=
DN-1
225-
QSEG
-Clm
-add
D2O_
pAu
thor
= de
lta
Expe
rime
nt
=
prot
on.j
xpSa
mple
_Id
= DN
-122
5-QS
EG-C
lm-a
ddD2
OSo
lven
t
= CH
LORO
FORM
-DAc
tual
_Sta
rt_T
ime
= 24
-FEB
-201
9 23
:27:
56Re
visi
on_T
ime
= 27
-FEB
-201
9 17
:41:
36
Comm
ent
=
sing
le_p
ulse
Data
_For
mat
=
1D R
EAL
Dim_
Size
=
1310
7X_
Doma
in
= Pr
oton
Dim_
Titl
e
=
Prot
onDi
m_Un
its
= [p
pm]
Dime
nsio
ns
=
XSi
te
= JN
M-EC
A600
Spec
trom
eter
=
DELT
A2_N
MR
Fiel
d_St
reng
th
=
14.0
2588
743[
T] (
600[
MHz]
)X_
Acq_
Dura
tion
= 1.
4627
6352
[s]
X_Do
main
=
1HX_
Freq
= 59
7.17
1442
93[M
Hz]
X_Of
fset
=
5[pp
m]X_
Poin
ts
= 16
384
X_Pr
esca
ns
=
1X_
Reso
luti
on
= 0.
6836
375[
Hz]
X_Sw
eep
=
11.2
0071
685[
kHz]
X_Sw
eep_
Clip
ped
=
8.96
0573
48[k
Hz]
Irr_
Doma
in
=
Prot
onIr
r_Fr
eq
= 59
7.17
1442
93[M
Hz]
Irr_
Offs
et
=
5[pp
m]Tr
i_Do
main
= Pr
oton
Tri_
Freq
=
597.
1714
4293
[MHz
]Tr
i_Of
fset
= 5[
ppm]
Clip
ped
=
FALS
ESc
ans
= 12
8To
tal_
Scan
s
= 12
8
Rela
xati
on_D
elay
=
5[s]
Recv
r_Ga
in
=
50Te
mp_G
et
= 24
.3[d
C]X_
90_W
idth
= 7.
15[u
s]X_
Acq_
Time
= 1.
4627
6352
[s]
X_An
gle
=
45[d
eg]
X_At
n
=
2.8[
dB]
X_Pu
lse
=
3.57
5[us
]Ir
r_Mo
de
= Of
fTr
i_Mo
de
= Of
fDa
nte_
Pres
at
= FA
LSE
Init
ial_
Wait
=
1[s]
Repe
titi
on_T
ime
=
6.46
2763
52[s
]
S29
OOH
O
11’
HOO
HHO
O
O
O 11
+
(CDC
l 3, D
2O a
dded
)
abundance00.10.20.30.40.50.6
X :
parts
per
Mill
ion
: 1H
8.0
7.0
6.0
5.0
4.0
3.0
2.0
1.0
0
4.7904.7874.785
4.1704.1604.1483.8443.7013.6143.6053.5563.5433.531
2.685
2.3862.3602.087
1.6171.6061.5951.4101.3820.9470.9340.91110.28
8.24
8.15
3.00
2.63
2.58
1.96
0.85
0.67
0.66
0.53
0.13
Filename = nakamura_1H_D2O-an-1.jdf
Author = delta
Experiment = single_pulse.ex2
Sample_Id = km
Solvent = D2O
Actual_Start_Time = 19-FEB-2019 18:36:23
Revision_Time = 27-FEB-2019 18:36:40
Comment = a-NON
Data_Format = 1D COMPLEX
Dim_Size = 52428
X_Domain = 1H
Dim_Title = 1H
Dim_Units = [ppm]
Dimensions = X
Site = ECA 600SL
Spectrometer = JNM-ECA600
Field_Strength = 13.95540559[T] (590[MHz])
X_Acq_Duration = 5.88251136[s]
X_Domain = 1H
X_Freq = 594.17058168[MHz]
X_Offset = 5[ppm]
X_Points = 65536
X_Prescans = 1
X_Resolution = 0.16999542[Hz]
X_Sweep = 11.14081996[kHz]
Irr_Domain = 1H
Irr_Freq = 594.17058168[MHz]
Irr_Offset = 5[ppm]
Tri_Domain = 1H
Tri_Freq = 594.17058168[MHz]
Tri_Offset = 5[ppm]
Clipped = FALSE
Scans = 32
Total_Scans = 32
Relaxation_Delay = 5[s]
Recvr_Gain = 46
Temp_Get = 25.5[dC]
X_90_Width = 14[us]
X_Acq_Time = 5.88251136[s]
X_Angle = 45[deg]
X_Atn = 2.5[dB]
X_Pulse = 7[us]
Irr_Mode = Off
Tri_Mode = Off
Dante_Presat = FALSE
Initial_Wait = 1[s]
Repetition_Time = 10.88251136[s]
S30
OOH
O
11’
HOO
HHO
O
O
O 11
+
(D2O
/DM
SO-d
6 = 4
:1, D
2SO
4 add
ed)
S31
OOH
O
11’
HOO
HHO
O
O
O 11
+
(D2O
/DM
SO-d
6 = 4
:1, D
2SO
4 add
ed)
abundance00.020.040.060.080.10.120.140.160.180.20.22
X :
parts
per
Mill
ion
: 13C
210.
020
0.0
190.
018
0.0
170.
016
0.0
150.
014
0.0
130.
012
0.0
110.
010
0.0
90.0
80.0
70.0
60.0
50.0
40.0
30.0
20.0
10.0
0
105.007104.652100.409100.217
82.69082.05774.24370.11668.887
39.82239.67839.53439.39039.24639.102
23.73423.61020.98920.78811.237
Filename = nakamura_13C_D2O-3.jdf
Author = delta
Experiment = single_pulse_dec
Sample_Id = km
Solvent = D2O
Actual_Start_Time = 19-FEB-2019 19:03:43
Revision_Time = 28-FEB-2019 09:58:41
Comment = a-COM
Data_Format = 1D COMPLEX
Dim_Size = 26214
X_Domain = 13C
Dim_Title = 13C
Dim_Units = [ppm]
Dimensions = X
Site = ECA 600SL
Spectrometer = JNM-ECA600
Field_Strength = 13.95540559[T] (590[MHz])
X_Acq_Duration = 0.69730304[s]
X_Domain = 13C
X_Freq = 149.40429612[MHz]
X_Offset = 100[ppm]
X_Points = 32768
X_Prescans = 4
X_Resolution = 1.43409672[Hz]
X_Sweep = 46.9924812[kHz]
Irr_Domain = 1H
Irr_Freq = 594.17058168[MHz]
Irr_Offset = 5[ppm]
Clipped = TRUE
Scans = 28881
Total_Scans = 28881
Relaxation_Delay = 2[s]
Recvr_Gain = 58
Temp_Get = 26[dC]
X_90_Width = 12[us]
X_Acq_Time = 0.69730304[s]
X_Angle = 30[deg]
X_Atn = 8.6[dB]
X_Pulse = 4[us]
Irr_Atn_Dec = 17.194[dB]
Irr_Atn_Noe = 17.194[dB]
Irr_Noise = WALTZ
Decoupling = TRUE
Initial_Wait = 1[s]
Noe = TRUE
Noe_Time = 2[s]
Repetition_Time = 2.69730304[s]
