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3,7-Dibenzyl-8-phenyl-1,3,7,8-tetrahydro-2H-purin-2-one

View entire compound with spectra: 1 MS (GC)

3,7-Dibenzyl-8-phenyl-1,3,7,8-tetrahydro-2H-purin-2-one
SpectraBase Compound ID HPSCXHMrL3l
InChI InChI=1S/C25H22N4O/c30-25-26-16-22-24(29(25)18-20-12-6-2-7-13-20)27-23(21-14-8-3-9-15-21)28(22)17-19-10-4-1-5-11-19/h1-16,23H,17-18H2,(H,26,30)
InChIKey STDIIJPVLYWARL-UHFFFAOYSA-N
Mol Weight 394.48 g/mol
Molecular Formula C25H22N4O
Exact Mass 394.179361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4obskoj2I9a
Name 3,7-Dibenzyl-8-phenyl-1,3,7,8-tetrahydro-2H-purin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N4O
InChI InChI=1S/C25H22N4O/c30-25-26-16-22-24(29(25)18-20-12-6-2-7-13-20)27-23(21-14-8-3-9-15-21)28(22)17-19-10-4-1-5-11-19/h1-16,23H,17-18H2,(H,26,30)
InChIKey STDIIJPVLYWARL-UHFFFAOYSA-N
Molecular Weight 394.478 g/mol
SMILES N1C=C2C(N(C1=O)Cc1ccccc1)=NC(N2Cc1ccccc1)c1ccccc1
SPLASH splash10-00kf-1009000000-36ac65a5081cd70af5a8
Source of Spectrum F-52-12987-18
Wiley ID 799289