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2-Butyl-6-ethoxy-5-phenethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-pyrimidin-4-one
SpectraBase Compound ID Ab4Y2ZxHIy9
InChI InChI=1S/C32H34N6O2/c1-3-5-15-29-33-31(40-4-2)28(21-18-23-11-7-6-8-12-23)32(39)38(29)22-24-16-19-25(20-17-24)26-13-9-10-14-27(26)30-34-36-37-35-30/h6-14,16-17,19-20H,3-5,15,18,21-22H2,1-2H3,(H,34,35,36,37)
InChIKey RZYFMTGGCLFOMP-UHFFFAOYSA-N
Mol Weight 534.7 g/mol
Molecular Formula C32H34N6O2
Exact Mass 534.274324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDEJebspHsc
Name 2-Butyl-6-ethoxy-5-phenethyl-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 C32H34N6O2
InChI InChI=1S/C32H34N6O2/c1-3-5-15-29-33-31(40-4-2)28(21-18-23-11-7-6-8-12-23)32(39)38(29)22-24-16-19-25(20-17-24)26-13-9-10-14-27(26)30-34-36-37-35-30/h6-14,16-17,19-20H,3-5,15,18,21-22H2,1-2H3,(H,34,35,36,37)
InChIKey RZYFMTGGCLFOMP-UHFFFAOYSA-N
Molecular Weight 534.664 g/mol
SMILES [nH]1c(nnn1)-c1c(-c2ccc(CN3C(C(CCc4ccccc4)=C(N=C3CCCC)OCC)=O)cc2)cccc1
SPLASH splash10-0kao-0640910000-bad0c681297dee96faf0
Source of Spectrum QA-46-59-28
Synonyms 2-Butyl-6-ethoxy-5-(2-phenylethyl)-3-{[2'-(1H-tetraazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-4(3H)-pyrimidinone
Wiley ID 863088