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1,3,7-trimethyl-8-(3,5-dimethylphenyl)-xanthine
SpectraBase Compound ID DV6ALluQBUq
InChI InChI=1S/C16H18N4O2/c1-9-6-10(2)8-11(7-9)13-17-14-12(18(13)3)15(21)20(5)16(22)19(14)4/h6-8H,1-5H3
InChIKey CVMWSGKLEPXSNB-UHFFFAOYSA-N
Mol Weight 298.35 g/mol
Molecular Formula C16H18N4O2
Exact Mass 298.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EkHUw8vsvR
Name 1,3,7-trimethyl-8-(3,5-dimethylphenyl)-xanthine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4O2
InChI InChI=1S/C16H18N4O2/c1-9-6-10(2)8-11(7-9)13-17-14-12(18(13)3)15(21)20(5)16(22)19(14)4/h6-8H,1-5H3
InChIKey CVMWSGKLEPXSNB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200065s
Molecular Weight 298.346 g/mol
SMILES C1(N(C(c2[n](c(nc2N1C)-c1cc(cc(c1)C)C)C)=O)C)=O
SPLASH splash10-0002-1090000000-f3607550a8a58624263d
Source of Spectrum A1-13-1378/SMS22-3g
Synonyms 8-(3,5-dimethylphenyl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione 8-(3,5-dimethylphenyl)-1,3,7-trimethylpurine-2,6-dione 8-(3,5-dimethylphenyl)-1,3,7-trimethyl-purine-2,6-dione
Wiley ID 1752856