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(E)-2-benzamido-3-(3-methyl-1,5-diphenyl-4-pyrazolyl)-2-propenoic acid
SpectraBase Compound ID T1bcvXKGq9
InChI InChI=1S/C26H21N3O3/c1-18-22(17-23(26(31)32)27-25(30)20-13-7-3-8-14-20)24(19-11-5-2-6-12-19)29(28-18)21-15-9-4-10-16-21/h2-17H,1H3,(H,27,30)(H,31,32)/b23-17+
InChIKey FDVUXMROFDZHLY-HAVVHWLPSA-N
Mol Weight 423.47 g/mol
Molecular Formula C26H21N3O3
Exact Mass 423.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ehKaBthYZV
Name (E)-2-benzamido-3-(3-methyl-1,5-diphenyl-4-pyrazolyl)-2-propenoic acid
Alternate Name(s) (E)-2-benzamido-3-(3-methyl-1,5-diphenyl-pyrazol-4-yl)acrylic acid (E)-2-benzamido-3-(3-methyl-1,5-diphenyl-pyrazol-4-yl)prop-2-enoic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N3O3
InChI InChI=1S/C26H21N3O3/c1-18-22(17-23(26(31)32)27-25(30)20-13-7-3-8-14-20)24(19-11-5-2-6-12-19)29(28-18)21-15-9-4-10-16-21/h2-17H,1H3,(H,27,30)(H,31,32)/b23-17+
InChIKey FDVUXMROFDZHLY-HAVVHWLPSA-N
Molecular Weight 423.472 g/mol
SMILES N(\C(C(=O)O)=C\c1c([n](nc1C)-c1ccccc1)-c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900100000-49e1f3ea92efb01a0fac
Source of Spectrum K-2002-679-5
Wiley ID 1580951