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6H-Purin-6-one, 1,7-dihydro-2-methyl-1-(phenylmethyl)-
SpectraBase Compound ID 8QDESeDvR5x
InChI InChI=1S/C13H12N4O/c1-9-16-12-11(14-8-15-12)13(18)17(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKey ZCAHONNUFXTHSF-UHFFFAOYSA-N
Mol Weight 240.27 g/mol
Molecular Formula C13H12N4O
Exact Mass 240.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1pydNP69Zl
Name 6H-Purin-6-one, 1,7-dihydro-2-methyl-1-(phenylmethyl)-
Alternate Name(s) 1,7-Dihydro-2-methyl-1-phenylmethyl-6H-purin-6-one 1-Benzyl-2-methyl-1,7-dihydro-6H-purin-6-one
CAS Registry Number 83325-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4O
InChI InChI=1S/C13H12N4O/c1-9-16-12-11(14-8-15-12)13(18)17(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKey ZCAHONNUFXTHSF-UHFFFAOYSA-N
Molecular Weight 240.266 g/mol
SMILES [nH]1cnc2N=C(N(C(c12)=O)Cc1ccccc1)C
SPLASH splash10-0006-9170000000-bdf4ec635063530b971a
Source of Spectrum F-38-1439-0
Wiley ID 1242797