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1,9-Dibenzyl-6-(2-phenylethynyl)purin-2-one
SpectraBase Compound ID Bc0TZ7AGXuv
InChI InChI=1S/C27H20N4O/c32-27-29-26-25(28-20-30(26)18-22-12-6-2-7-13-22)24(17-16-21-10-4-1-5-11-21)31(27)19-23-14-8-3-9-15-23/h1-15,20H,18-19H2
InChIKey HKZCTOCPXOONCK-UHFFFAOYSA-N
Mol Weight 416.48 g/mol
Molecular Formula C27H20N4O
Exact Mass 416.163711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9OYCLP9XGx
Name 1,9-Dibenzyl-6-(2-phenylethynyl)purin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20N4O
InChI InChI=1S/C27H20N4O/c32-27-29-26-25(28-20-30(26)18-22-12-6-2-7-13-22)24(17-16-21-10-4-1-5-11-21)31(27)19-23-14-8-3-9-15-23/h1-15,20H,18-19H2
InChIKey HKZCTOCPXOONCK-UHFFFAOYSA-N
Molecular Weight 416.484 g/mol
SMILES C12=NC(N(C(=C2N=CN1Cc1ccccc1)C#Cc1ccccc1)Cc1ccccc1)=O
SPLASH splash10-0f6x-4109000000-bb598b1fa574202ab1e9
Source of Spectrum F-52-12989-7
Synonyms 6-(2-phenylethynyl)-1,9-bis(phenylmethyl)-2-purinone 6-(2-phenylethynyl)-1,9-bis(phenylmethyl)purin-2-one
Wiley ID 799285