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SpectraBase Compound ID	3rx2g5HkXb2
InChI	InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i8+1,11+1,12+1
InChIKey	RYYVLZVUVIJVGH-CIZOTAAMSA-N Google Search
Mol Weight	197.17 g/mol
Molecular Formula	C713CH10N215N2O2
Exact Mass	197.0778 g/mol

View Spectrum of 1,3-[15N2]-[13C]-Caffeine (BS-7-189-24)

Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum	MZ-0-0-3

Caffeine

1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(methyl-D3)-

1,3-Dimethyl-7-(trideuteriomethyl)purine-2,6-dione

Caffeine-13C3

1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-3-(methyl-D3)-

2,5-Cyclohexadiene-1,4-dione, 2-(3-butynyl)-5,6-dimethoxy-3-(trimethylsilyl)-

4-allyl-5-(1-benzothien-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide

1H-Indol-2(3H)-one, 3-(4-tert-butylbenzoyl)methyl-3-hydroxy-

benzeneacetamide, N-[[1-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]methyl]-

6,6-DICHLORO-5,5-DIMETHYL-4,5,6,7-TETRAHYDRO-7-OXO-1,2,3-BENZOTHIAZOLE-1,1-DIOXIDE

2-{1-[(1,3-Dihydro-2H-benzimidazol-2-ylidene)ammonio]-2-(4-methylphenyl)-2-oxoethyl}-3-oxocyclohex-1-enolate

2-bromo-5,6,7,8,9,10-hexahydro-11H-cyclohepta[b]quinolin-11-one

N,5-dimethyl-4-{[3-(trifluoromethyl)phenoxy]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-isoxazolecarboxamide

2H-Pyran-2-one, 3,3'-[(4-chlorophenyl)methylene]bis[4-hydroxy-6-methyl-

1-(4-chlorophenyl)-2-{[4-(2-furylmethyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Unknown Identification

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1,3-[15N2]-[13C]-Caffeine (BS-7-189-24)

Compound with spectra: 1 MS (GC)