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6-Ethyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
SpectraBase Compound ID J6curzkDv4H
InChI InChI=1S/C28H28N4O/c1-2-25-26-27(29-21-30(26)18-22-12-6-3-7-13-22)32(20-24-16-10-5-11-17-24)28(33)31(25)19-23-14-8-4-9-15-23/h3-17,21,25H,2,18-20H2,1H3
InChIKey VBJBFGCAVLJIOT-UHFFFAOYSA-N
Mol Weight 436.56 g/mol
Molecular Formula C28H28N4O
Exact Mass 436.226312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1FTu31gj9M
Name 6-Ethyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N4O
InChI InChI=1S/C28H28N4O/c1-2-25-26-27(29-21-30(26)18-22-12-6-3-7-13-22)32(20-24-16-10-5-11-17-24)28(33)31(25)19-23-14-8-4-9-15-23/h3-17,21,25H,2,18-20H2,1H3
InChIKey VBJBFGCAVLJIOT-UHFFFAOYSA-N
Molecular Weight 436.559 g/mol
SMILES c12N(C(=O)N(C(c2[n](Cc2ccccc2)cn1)CC)Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0a4i-0000900000-b05c6b8d239824637e93
Source of Spectrum F-51-3662-7
Synonyms 1,3,7-tribenzyl-6-ethyl-1,3,6,7-tetrahydro-2H-purin-2-one
Wiley ID 791421