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6-Isopropyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
SpectraBase Compound ID LJHMSU0cLuy
InChI InChI=1S/C29H30N4O/c1-22(2)26-27-28(30-21-31(27)18-23-12-6-3-7-13-23)33(20-25-16-10-5-11-17-25)29(34)32(26)19-24-14-8-4-9-15-24/h3-17,21-22,26H,18-20H2,1-2H3
InChIKey ZGMSOEMMNDXJPT-UHFFFAOYSA-N
Mol Weight 450.59 g/mol
Molecular Formula C29H30N4O
Exact Mass 450.241962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DhkxBGelk
Name 6-Isopropyl-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 C29H30N4O
InChI InChI=1S/C29H30N4O/c1-22(2)26-27-28(30-21-31(27)18-23-12-6-3-7-13-23)33(20-25-16-10-5-11-17-25)29(34)32(26)19-24-14-8-4-9-15-24/h3-17,21-22,26H,18-20H2,1-2H3
InChIKey ZGMSOEMMNDXJPT-UHFFFAOYSA-N
Molecular Weight 450.586 g/mol
SMILES c12N(C(=O)N(C(c2[n](Cc2ccccc2)cn1)C(C)C)Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0a4l-8000900000-5c0c6d7aeb530c7108cc
Source of Spectrum F-51-3662-7
Synonyms 1,3,7-tribenzyl-6-isopropyl-1,3,6,7-tetrahydro-2H-purin-2-one
Wiley ID 791418