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3,8-DIBENZYL-7-METHYL-1-PROPYL-XANTHINE
SpectraBase Compound ID 2t91I0YnpdX
InChI InChI=1S/C23H24N4O2/c1-3-14-26-22(28)20-21(27(23(26)29)16-18-12-8-5-9-13-18)24-19(25(20)2)15-17-10-6-4-7-11-17/h4-13H,3,14-16H2,1-2H3
InChIKey OGPZSIVZCNZSIS-UHFFFAOYSA-N
Mol Weight 388.47 g/mol
Molecular Formula C23H24N4O2
Exact Mass 388.189926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hsjm0LRX84u
Name 3,8-dibenzyl-7-methyl-1-propyl-purine-2,6-dione
Comments Less than 3 mono-isotopic peaks
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Formula C23H24N4O2
InChI InChI=1S/C23H24N4O2/c1-3-14-26-22(28)20-21(27(23(26)29)16-18-12-8-5-9-13-18)24-19(25(20)2)15-17-10-6-4-7-11-17/h4-13H,3,14-16H2,1-2H3
InChIKey OGPZSIVZCNZSIS-UHFFFAOYSA-N
Molecular Weight 388.471 g/mol
SMILES c12c(C(=O)N(C(N2Cc2ccccc2)=O)CCC)[n](C)c(n1)Cc1ccccc1
SPLASH splash10-000f-9007000000-fad3b2372e9f1f5f768b
Source of Spectrum E2-50-1381-4
Synonyms 3,8-dibenzyl-7-methyl-1-propyl-xanthine 7-methyl-3,8-bis(phenylmethyl)-1-propyl-purine-2,6-dione 7-methyl-3,8-bis(phenylmethyl)-1-propylpurine-2,6-dione
Wiley ID 1556033