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8-(3,4-dimethoxyphenyl)-1,3,7-trimethylxanthine
SpectraBase Compound ID IHnuYcDw9ou
InChI InChI=1S/C16H18N4O4/c1-18-12-14(19(2)16(22)20(3)15(12)21)17-13(18)9-6-7-10(23-4)11(8-9)24-5/h6-8H,1-5H3
InChIKey KSLDZIIQVALHTG-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C16H18N4O4
Exact Mass 330.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBkoOS4M5p4
Name 8-(3,4-dimethoxyphenyl)-1,3,7-trimethylxanthine
Alternate Name(s) 8-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione 8-(3,4-dimethoxyphenyl)-1,3,7-trimethylpurine-2,6-dione 8-(3,4-dimethoxyphenyl)-1,3,7-trimethyl-purine-2,6-dione
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Formula C16H18N4O4
InChI InChI=1S/C16H18N4O4/c1-18-12-14(19(2)16(22)20(3)15(12)21)17-13(18)9-6-7-10(23-4)11(8-9)24-5/h6-8H,1-5H3
InChIKey KSLDZIIQVALHTG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200065s
Molecular Weight 330.344 g/mol
SMILES C1(N(C(N(c2nc([n](c12)C)-c1ccc(c(c1)OC)OC)C)=O)C)=O
SPLASH splash10-001i-0019000000-dc73baf6fb504013f1b2
Source of Spectrum A1-13-1378/SMS26-3i
Wiley ID 1752857