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Compound Structure IUPAC Name: 1,7-dimethyl-3-(113C)methylpurine-2,6-dione
Synonyms: 202282-98-2, Caffeine-13C, 1,7-Dimethyl-3-(113C)methylpurine-2,6-dione, 3,7-Dihydro-1,7-dimethyl-3-(methyl-13C)-1H-Purine-2,6-dione, DTXSID00639874, Caffeine (3-Methyl-13C, 99%), Caffeine-(3-methyl-13C), 99 atom % 13C, 1,7-Dimethyl-3-(~13~C)methyl-3,7-dihydro-1H-purine-2,6-dione

Molecular Formula: C8H10N4O2Molecular Weight: 195.180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RYYVLZVUVIJVGH-VQEHIDDOSA-N

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