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1,3-Dimethyl-7-(2-methylbut-3-en-2-yl)purine-2,6-dione
SpectraBase Compound ID 2p2D1cFlPDy
InChI InChI=1S/C12H16N4O2/c1-6-12(2,3)16-7-13-9-8(16)10(17)15(5)11(18)14(9)4/h6-7H,1H2,2-5H3
InChIKey QMODSGMLAOSAFJ-UHFFFAOYSA-N
Mol Weight 248.29 g/mol
Molecular Formula C12H16N4O2
Exact Mass 248.127326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cy4UjOzGWU
Name 1,3-Dimethyl-7-(2-methylbut-3-en-2-yl)purine-2,6-dione
Alternate Name(s) 7-(1,1-dimethylallyl)-1,3-dimethyl-purine-2,6-dione 7-(1,1-dimethylallyl)-1,3-dimethyl-xanthine
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Formula C12H16N4O2
InChI InChI=1S/C12H16N4O2/c1-6-12(2,3)16-7-13-9-8(16)10(17)15(5)11(18)14(9)4/h6-7H,1H2,2-5H3
InChIKey QMODSGMLAOSAFJ-UHFFFAOYSA-N
Molecular Weight 248.286 g/mol
SMILES c12c(N(C)C(N(C2=O)C)=O)nc[n]1C(C=C)(C)C
SPLASH splash10-001i-7910000000-c8f0f60bdcb35199089d
Source of Spectrum AH-125-82-4
Wiley ID 1250797