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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ab8RQUd7Q30
Name Caffeine
Source of Sample SAFC Cat. #W222402
CAS Registry Number 58-08-2
Classification Pesticides: Molluscicides
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. 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
Number of Peaks 50
RI1 1837
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)cn1
SPLASH splash10-052f-6900000000-f1590b1005787cc2ab23
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-
Wiley ID LM_PEST_1160