Spectroscopic Tools b
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1H-Wizard:
chemical shift (ppm)
Enhanced IR-Wizard:
Wave number (cm-1)
MS-Wizard:
m/e without any sign
Beta- Test (June 2025): A general methode for calculating 13C chemical shifts using my DCode- system. On mybinder you can use it in your own, isolated environment. Nobody can see, what you calculate!
You need only the SMILES Code of your molecule of interest.
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
15N chemical shifts 17O chemical shifts 27Al chemical shifts
29Si chemical shifts

Sources

George Socrates "Infrared and Raman Characterisitc Group frequencies" John Wiley & Sons, 18.06.2004
M. Hesse, H. Meier, B. Zeeh; Spektroskopische Methoden in der organischen Chemie; 4. berarbeite Auflage; Georg-Thiem Verlag Stuttgart- New York
Bruker Almanac - many issues
Please cite my work: St. Thomas "Spectroscopic Tools" URL: http://www.science-and-fun.de/tools/