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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

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID I8Wwgg12imq
Name Caffeine
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number 39214
Lot Number G31Z005
CAS Registry Number 58-08-2
Classification Flavors and Fragrances
Color Properties White
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
FEMA Number 2224
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
Instrument Name Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Purity 99.7%
Raman Corrections Referenced to internal white light source; Scattering corrected
Raman Laser Source Nd:YAG
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms 1,3,7-Trimethylxanthine Methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione 1,3,7-Trimethyl-2,6-dioxopurine
Technique FT-Raman