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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Jg2zipVAyOU
Name Caffeine
Source of Sample Monsanto Company, St. Louis, Missouri
Boiling Point 89C/15mm
CAS Registry Number 58-08-2
Color Properties Color= WHITE, FLEECY MASSES
Comments CENTRAL STIMULANT
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Density 1.23
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
Melting Point 234-236C
RTECS Number EV6475000
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 KBr WAFER