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6-n-Butyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
SpectraBase Compound ID 8OlBlUNPgqq
InChI InChI=1S/C30H32N4O/c1-2-3-19-27-28-29(31-23-32(28)20-24-13-7-4-8-14-24)34(22-26-17-11-6-12-18-26)30(35)33(27)21-25-15-9-5-10-16-25/h4-18,23,27H,2-3,19-22H2,1H3
InChIKey NFFYOYQXWJMTMS-UHFFFAOYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C30H32N4O
Exact Mass 464.257612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BlFHxPUQ5e
Name 6-n-Butyl-1,3,6,7-tetrahydro-1,3,7-tribenzyl-2H-purin-2-one
Alternate Name(s) 1,3,7-tribenzyl-6-butyl-1,3,6,7-tetrahydro-2H-purin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32N4O
InChI InChI=1S/C30H32N4O/c1-2-3-19-27-28-29(31-23-32(28)20-24-13-7-4-8-14-24)34(22-26-17-11-6-12-18-26)30(35)33(27)21-25-15-9-5-10-16-25/h4-18,23,27H,2-3,19-22H2,1H3
InChIKey NFFYOYQXWJMTMS-UHFFFAOYSA-N
Molecular Weight 464.613 g/mol
SMILES c12N(C(=O)N(C(c2[n](Cc2ccccc2)cn1)CCCC)Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0a4l-6000900000-c0b8bb7e46a8a2c4fbfa
Source of Spectrum F-51-3662-7
Wiley ID 791420