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2-Butyl-6-(1-phenylethyl)-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one
SpectraBase Compound ID GgyfWT6bBbX
InChI InChI=1S/C30H30N6O/c1-3-4-14-28-31-27(21(2)23-10-6-5-7-11-23)19-29(37)36(28)20-22-15-17-24(18-16-22)25-12-8-9-13-26(25)30-32-34-35-33-30/h5-13,15-19,21H,3-4,14,20H2,1-2H3,(H,32,33,34,35)
InChIKey WYYVZSPRCCRBNS-UHFFFAOYSA-N
Mol Weight 490.61 g/mol
Molecular Formula C30H30N6O
Exact Mass 490.24811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4CTpOLt1D4
Name 2-Butyl-6-(1-phenylethyl)-3-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-pyrimidin-4-one
Alternate Name(s) 2-Butyl-6-(1-phenylethyl)-3-{[2'-(1H-tetraazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4(3H)-pyrimidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N6O
InChI InChI=1S/C30H30N6O/c1-3-4-14-28-31-27(21(2)23-10-6-5-7-11-23)19-29(37)36(28)20-22-15-17-24(18-16-22)25-12-8-9-13-26(25)30-32-34-35-33-30/h5-13,15-19,21H,3-4,14,20H2,1-2H3,(H,32,33,34,35)
InChIKey WYYVZSPRCCRBNS-UHFFFAOYSA-N
Molecular Weight 490.611 g/mol
SMILES [nH]1c(nnn1)-c1c(-c2ccc(CN3C(C=C(N=C3CCCC)C(c3ccccc3)C)=O)cc2)cccc1
SPLASH splash10-0a4j-0000900000-c587b984e272ce1e7d2f
Source of Spectrum QA-46-60-42
Wiley ID 863079