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8-Bromanyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione
SpectraBase Compound ID BxaWpKalATR
InChI InChI=1S/C16H15BrN4O4/c1-19-13-12(14(23)20(2)16(19)24)21(15(17)18-13)8-11(22)9-5-4-6-10(7-9)25-3/h4-7H,8H2,1-3H3
InChIKey WDSDTXQQEJFDOK-UHFFFAOYSA-N
Mol Weight 407.22 g/mol
Molecular Formula C16H15BrN4O4
Exact Mass 406.027668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GohgRfyCTjC
Name 8-Bromanyl-7-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione
Alternate Name(s) 8-Bromo-7-[2-(3-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione 8-Bromo-7-[2-(3-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 8-Bromo-7-[2-keto-2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine
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Formula C16H15BrN4O4
InChI InChI=1S/C16H15BrN4O4/c1-19-13-12(14(23)20(2)16(19)24)21(15(17)18-13)8-11(22)9-5-4-6-10(7-9)25-3/h4-7H,8H2,1-3H3
InChIKey WDSDTXQQEJFDOK-UHFFFAOYSA-N
Molecular Weight 407.224 g/mol
SMILES c12c([n](CC(c3cc(OC)ccc3)=O)c(n1)Br)C(=O)N(C(N2C)=O)C
SPLASH splash10-000i-5900000000-7d2eddf888da023e7c23
Wiley ID 1457841