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1,3,7-tribenzyl-6-methyl-6H-purin-2-one
SpectraBase Compound ID mZMU1yK2Mt
InChI InChI=1S/C27H26N4O/c1-21-25-26(28-20-29(25)17-22-11-5-2-6-12-22)31(19-24-15-9-4-10-16-24)27(32)30(21)18-23-13-7-3-8-14-23/h2-16,20-21H,17-19H2,1H3
InChIKey DCSJRGUPXFHTKU-UHFFFAOYSA-N
Mol Weight 422.53 g/mol
Molecular Formula C27H26N4O
Exact Mass 422.210661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IGIyp3MHKU
Name 1,3,7-tribenzyl-6-methyl-6H-purin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26N4O
InChI InChI=1S/C27H26N4O/c1-21-25-26(28-20-29(25)17-22-11-5-2-6-12-22)31(19-24-15-9-4-10-16-24)27(32)30(21)18-23-13-7-3-8-14-23/h2-16,20-21H,17-19H2,1H3
InChIKey DCSJRGUPXFHTKU-UHFFFAOYSA-N
Molecular Weight 422.532 g/mol
SMILES c12N(C(=O)N(C(c2[n](Cc2ccccc2)cn1)C)Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0a4l-4000900000-37ae5adc769d9b51bd3a
Source of Spectrum F-51-3661-7
Synonyms 6-Methyl-1,3,7-tris(phenylmethyl)-6H-purin-2-one
Wiley ID 791422