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1H-Purine-2,6-dione, 7-(3,3-dimethyl-2-oxobutyl)-3,7-dihydro-3-methyl-
SpectraBase Compound ID 3H3g69cYWf8
InChI InChI=1S/C12H16N4O3/c1-12(2,3)7(17)5-16-6-13-9-8(16)10(18)14-11(19)15(9)4/h6H,5H2,1-4H3,(H,14,18,19)
InChIKey BJHPMKJHJSGSCK-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C12H16N4O3
Exact Mass 264.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcTv0kGMcor
Name 1H-Purine-2,6-dione, 7-(3,3-dimethyl-2-oxobutyl)-3,7-dihydro-3-methyl-
Alternate Name(s) 7-(2-keto-3,3-dimethyl-butyl)-3-methyl-xanthine 7-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-purine-2,6-dione 7-(3,3-dimethyl-2-oxo-butyl)-3-methyl-purine-2,6-dione 7-(3,3-Dimethyl-2-oxobutyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
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Formula C12H16N4O3
InChI InChI=1S/C12H16N4O3/c1-12(2,3)7(17)5-16-6-13-9-8(16)10(18)14-11(19)15(9)4/h6H,5H2,1-4H3,(H,14,18,19)
InChIKey BJHPMKJHJSGSCK-UHFFFAOYSA-N
Molecular Weight 264.285 g/mol
SMILES N1C(c2c(N(C1=O)C)nc[n]2CC(C(C)(C)C)=O)=O
SPLASH splash10-0a4i-9200000000-0a77625d7d203e6ea648
Wiley ID 1450128