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1,3,7-tribenzyl-6-phenyl-6H-purin-2-one

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1,3,7-tribenzyl-6-phenyl-6H-purin-2-one
SpectraBase Compound ID 3Ly9PciMTPB
InChI InChI=1S/C32H28N4O/c37-32-35(22-26-15-7-2-8-16-26)29(28-19-11-4-12-20-28)30-31(36(32)23-27-17-9-3-10-18-27)33-24-34(30)21-25-13-5-1-6-14-25/h1-20,24,29H,21-23H2
InChIKey BCDYFVZIGRLQTD-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C32H28N4O
Exact Mass 484.226312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Pb7vhCgauC
Name 1,3,7-Tribenzyl-6-phenyl-6H-purin-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.226311537 u
Formula C32H28N4O
InChI InChI=1S/C32H28N4O/c37-32-35(22-26-15-7-2-8-16-26)29(28-19-11-4-12-20-28)30-31(36(32)23-27-17-9-3-10-18-27)33-24-34(30)21-25-13-5-1-6-14-25/h1-20,24,29H,21-23H2
InChIKey BCDYFVZIGRLQTD-UHFFFAOYSA-N
Molecular Weight 484.603 g/mol
SMILES C1=2N(C(=O)N(C(C2N(CC2=CC=CC=C2)C=N1)C=1C=CC=CC1)CC=1C=CC=CC1)CC=1C=CC=CC1