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(E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-4-pyrazolyl]-2-propenoic acid
SpectraBase Compound ID A5zlUYzfD6Y
InChI InChI=1S/C26H20ClN3O3/c1-17-22(16-23(26(32)33)28-25(31)19-10-6-3-7-11-19)24(18-8-4-2-5-9-18)30(29-17)21-14-12-20(27)13-15-21/h2-16H,1H3,(H,28,31)(H,32,33)/b23-16+
InChIKey BLVHTPZCESVSRT-XQNSMLJCSA-N
Mol Weight 457.92 g/mol
Molecular Formula C26H20ClN3O3
Exact Mass 457.119319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hrpvq1FVHV8
Name (E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-4-pyrazolyl]-2-propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C26H20ClN3O3
InChI InChI=1S/C26H20ClN3O3/c1-17-22(16-23(26(32)33)28-25(31)19-10-6-3-7-11-19)24(18-8-4-2-5-9-18)30(29-17)21-14-12-20(27)13-15-21/h2-16H,1H3,(H,28,31)(H,32,33)/b23-16+
InChIKey BLVHTPZCESVSRT-XQNSMLJCSA-N
Molecular Weight 457.917 g/mol
SMILES N(\C(C(=O)O)=C\c1c(n[n](c1-c1ccccc1)-c1ccc(cc1)Cl)C)C(c1ccccc1)=O
SPLASH splash10-0a4i-0900100000-76ff250b368580387e5e
Source of Spectrum K-2002-679-5
Synonyms (E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-pyrazol-4-yl]acrylic acid (E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenyl-pyrazol-4-yl]prop-2-enoic acid
Wiley ID 1580949