For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Caffeine

View entire compound with spectra: 14 NMR, 10 FTIR, 2 Raman, and 66 MS (GC)

Caffeine
SpectraBase Compound ID 5mzfOFTj9A9
InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N
Mol Weight 194.19 g/mol
Molecular Formula C8H10N4O2
Exact Mass 194.080376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AyyulKSOUNt
Name CAFFEINE;REFERENCE-11
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10N4O2
InChI InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N
Literature Reference Author T.M.A.USHIROBIRA,E.YAMAGUTI,L.M.UEMURA,C.V.NAKAMURA
Literature Reference Citation LAT.AM.J.PHARM.,26,5(2007)
Molecular Weight 194.193 g/mol
Source File Reference UWBT7267