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2-Butyl-6-benzyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one
SpectraBase Compound ID 3c4tw4bLE9A
InChI InChI=1S/C29H28N6O/c1-2-3-13-27-30-24(18-21-9-5-4-6-10-21)19-28(36)35(27)20-22-14-16-23(17-15-22)25-11-7-8-12-26(25)29-31-33-34-32-29/h4-12,14-17,19H,2-3,13,18,20H2,1H3,(H,31,32,33,34)
InChIKey AJBAHWGIZHQDHT-UHFFFAOYSA-N
Mol Weight 476.58 g/mol
Molecular Formula C29H28N6O
Exact Mass 476.23246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9RI5xJSTsg
Name 2-Butyl-6-benzyl-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28N6O
InChI InChI=1S/C29H28N6O/c1-2-3-13-27-30-24(18-21-9-5-4-6-10-21)19-28(36)35(27)20-22-14-16-23(17-15-22)25-11-7-8-12-26(25)29-31-33-34-32-29/h4-12,14-17,19H,2-3,13,18,20H2,1H3,(H,31,32,33,34)
InChIKey AJBAHWGIZHQDHT-UHFFFAOYSA-N
Molecular Weight 476.584 g/mol
SMILES [nH]1c(nnn1)-c1c(-c2ccc(CN3C(C=C(N=C3CCCC)Cc3ccccc3)=O)cc2)cccc1
SPLASH splash10-0002-0900100000-dfbd7cbdafd87c93f7c6
Source of Spectrum QA-46-60-39
Synonyms 6-Benzyl-2-butyl-3-{[2'-(1H-tetraazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4(3H)-pyrimidinone
Wiley ID 863082