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(E)-2-benzamido-3-[3-methyl-1-(3-methylphenyl)-5-phenyl-4-pyrazolyl]-2-propenoic acid
SpectraBase Compound ID HGUDJwC1edK
InChI InChI=1S/C27H23N3O3/c1-18-10-9-15-22(16-18)30-25(20-11-5-3-6-12-20)23(19(2)29-30)17-24(27(32)33)28-26(31)21-13-7-4-8-14-21/h3-17H,1-2H3,(H,28,31)(H,32,33)/b24-17+
InChIKey ORYXLFNEVSYHPP-JJIBRWJFSA-N
Mol Weight 437.5 g/mol
Molecular Formula C27H23N3O3
Exact Mass 437.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGePwxiq3Iw
Name (E)-2-benzamido-3-[3-methyl-1-(3-methylphenyl)-5-phenyl-4-pyrazolyl]-2-propenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C27H23N3O3
InChI InChI=1S/C27H23N3O3/c1-18-10-9-15-22(16-18)30-25(20-11-5-3-6-12-20)23(19(2)29-30)17-24(27(32)33)28-26(31)21-13-7-4-8-14-21/h3-17H,1-2H3,(H,28,31)(H,32,33)/b24-17+
InChIKey ORYXLFNEVSYHPP-JJIBRWJFSA-N
Molecular Weight 437.499 g/mol
SMILES N(\C(C(=O)O)=C\c1c(n[n](c1-c1ccccc1)-c1cc(ccc1)C)C)C(c1ccccc1)=O
SPLASH splash10-0a4r-0900500000-fc85e1f52fa1a8879f92
Source of Spectrum K-2002-679-5
Synonyms (E)-2-benzamido-3-[3-methyl-1-(3-methylphenyl)-5-phenyl-pyrazol-4-yl]prop-2-enoic acid (E)-2-benzamido-3-[3-methyl-1-(m-tolyl)-5-phenyl-pyrazol-4-yl]acrylic acid (E)-2-benzamido-3-[3-methyl-1-(m-tolyl)-5-phenyl-pyrazol-4-yl]prop-2-enoic acid
Wiley ID 1580950