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1,7-Dibenzyl-1,7-dihydro-8-phenyl-2H-purin-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,7-Dibenzyl-1,7-dihydro-8-phenyl-2H-purin-2-one
SpectraBase Compound ID 79t6JBR807E
InChI InChI=1S/C25H20N4O/c30-25-27-23-22(18-28(25)16-19-10-4-1-5-11-19)29(17-20-12-6-2-7-13-20)24(26-23)21-14-8-3-9-15-21/h1-15,18H,16-17H2
InChIKey OVUFYTCNZGEAOC-UHFFFAOYSA-N
Mol Weight 392.46 g/mol
Molecular Formula C25H20N4O
Exact Mass 392.163711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dfs76ruUhdU
Name 1,7-Dibenzyl-1,7-dihydro-8-phenyl-2H-purin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.163711279 u
Formula C25H20N4O
InChI InChI=1S/C25H20N4O/c30-25-27-23-22(18-28(25)16-19-10-4-1-5-11-19)29(17-20-12-6-2-7-13-20)24(26-23)21-14-8-3-9-15-21/h1-15,18H,16-17H2
InChIKey OVUFYTCNZGEAOC-UHFFFAOYSA-N
Molecular Weight 392.462 g/mol
SMILES C=12C(N=C(N2CC=2C=CC=CC2)C=2C=CC=CC2)=NC(N(C1)CC=1C=CC=CC1)=O