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7/25/2019 Spectroscopic Tools http://slidepdf.com/reader/full/spectroscopic-tools 1/2 5/15/2016 Spectroscopic Tools http://www.science-and-fun.de/tools/ Spectroscopic Tools  b a c k 1H-Wizard: 7.2 go  chemical shift (ppm) IR-Wizard: 2359 go  Wave number (cm -1 ) MS-Wizard: 43 go  m/e without any sign Enhanced IR-Wizard (more than 2000 entries): 1444 go  Wave number (cm -1 ) IR- Wizard Results: Hint: A benzene ring in this pictures means often aromatic systems in general, CC stands for a C,C triple bond, NN often for a N,N triple bond!! The more information button will open results in a new window! You have searched for 857cm -1  Ranges[cm -1 ]  Fragment  more informations  Comment 850 up to 870  click here  v; C-C skeleton vibration 820 up to 920  click here w-m; skeletal vibration 830 up to 960  click here  m; C-H rocking vibration 700 up to 900  click here s; CH 3 -metal groups due CH 2  rocking vibration 765 up to 870  click here  s; CH 2  rocking vibration 860 up to 860  click here  m; CH rocking vibration 850 up to 870  click here  s; CH 2  out-of-plane deformation vibration  click here  s; =CH 2  out-of-plane 31 P chemical shifts 19 F chemical shifts  NMR-Solvents J(H,H)- Couplings 13 C chemical shift calculations JCAMP-Generator Linienform-Simulation 1 H chemical shifts 13 C chemical shifts 11 B chemical shifts  NMR Perioic Table of Elemets 15  N chemical shifts  17 O chemical shifts 27 Al chemical shifts 29 Si chemical shifts

Spectroscopic Tools

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Page 1: Spectroscopic Tools

7/25/2019 Spectroscopic Tools

http://slidepdf.com/reader/full/spectroscopic-tools 1/2

5/15/2016 Spectroscopic Tools

http://www.science-and-fun.de/tools/

Spectroscopic Tools back

1H-Wizard: 7.2 go

chemical shift (ppm)

IR-Wizard: 2359 go

Wave number (cm-1)

MS-Wizard: 43 go

m/e without any sign

Enhanced IR-Wizard (more than 2000 entries): 1444 go Wave number (cm-1)

IR- Wizard Results:

Hint: A benzene ring in this pictures means often aromatic systems in general, CC standsfor a C,C triple bond, NN often for a N,N triple bond!!The more information button will open results in a new window!

You have searched for 857cm-1

Ranges[cm-1] Fragment more

informations Comment

850 up to 870 click here v; C-C skeleton

vibration

820 up to 920 click here

w-m; skeletal vibration

830 up to 960 click here m; C-H rocking

vibration

700 up to 900 click here

s; CH3-metal groups

due CH2 rocking

vibration

765 up to 870 click here s; CH2 rocking

vibration

860 up to 860 click here m; CH rocking

vibration

850 up to 870 click here s; CH2 out-of-plane

deformation vibration

click here s; =CH2 out-of-plane

31P chemical shifts 19F chemical shifts

NMR-Solvents J(H,H)- Couplings

13C chemical shift calculations JCAMP-Generator Linienform-Simulation

1H chemical shifts 13C chemical shifts

11B chemical shifts NMR Perioic Table of Elemets

15 N chemical shifts 17O chemical shifts27Al chemical shifts 29Si chemical shifts

Page 2: Spectroscopic Tools

7/25/2019 Spectroscopic Tools

http://slidepdf.com/reader/full/spectroscopic-tools 2/2

5/15/2016 Spectroscopic Tools

http://www.science-and-fun.de/tools/

Sources

George Socrates "Infrared and Raman Characterisitc Group frequencies" John Wiley & Sons, 18.06.2004M. Hesse, H. Meier, B. Zeeh; Spektroskopische Methoden in der organischen Chemie; 4. überarbeiteAuflage; Georg-Thiem Verlag Stuttgart- New YorkBruker Almanac - many issues

Please cite my work: St. Thomas "Spectroscopic Tools" URL: http://www.science-and-fun.de/tools/