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6H-Purin-6-one, 7-(4-chlorophenyl)-1,7-dihydro-2-methyl-1-phenyl-
SpectraBase Compound ID DLxiQB9WZCP
InChI InChI=1S/C18H13ClN4O/c1-12-21-17-16(18(24)23(12)15-5-3-2-4-6-15)22(11-20-17)14-9-7-13(19)8-10-14/h2-11H,1H3
InChIKey IEWQHVBRUZGJLO-UHFFFAOYSA-N
Mol Weight 336.78 g/mol
Molecular Formula C18H13ClN4O
Exact Mass 336.077789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3W4T6w31mN
Name 6H-Purin-6-one, 7-(4-chlorophenyl)-1,7-dihydro-2-methyl-1-phenyl-
Alternate Name(s) 1,7-Dihydro-7-(4-chlorophenyl)-2-methyl-1-phenyl-6H-purin-6-one 7-(4-Chlorophenyl)-2-methyl-1-phenyl-1,7-dihydro-6H-purin-6-one
CAS Registry Number 83325-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClN4O
InChI InChI=1S/C18H13ClN4O/c1-12-21-17-16(18(24)23(12)15-5-3-2-4-6-15)22(11-20-17)14-9-7-13(19)8-10-14/h2-11H,1H3
InChIKey IEWQHVBRUZGJLO-UHFFFAOYSA-N
Molecular Weight 336.782 g/mol
SMILES c12c(N=C(N(C2=O)c2ccccc2)C)nc[n]1-c1ccc(cc1)Cl
SPLASH splash10-0079-1009000000-cfc18497abff972b11c2
Source of Spectrum F-38-1439-0
Wiley ID 1332273