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(E)-2-(Benzoylamino)-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenyl-1H-pyrazol-4-yl]propenoic acid
SpectraBase Compound ID 7ETJZlOpHsb
InChI InChI=1S/C26H19F2N3O3/c1-16-20(15-22(26(33)34)29-25(32)18-10-6-3-7-11-18)24(17-8-4-2-5-9-17)31(30-16)23-14-19(27)12-13-21(23)28/h2-15H,1H3,(H,29,32)(H,33,34)/b22-15+
InChIKey WPGFHEKIWUUORO-PXLXIMEGSA-N
Mol Weight 459.45 g/mol
Molecular Formula C26H19F2N3O3
Exact Mass 459.139448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0wHpaRw4YB
Name (E)-2-(Benzoylamino)-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenyl-1H-pyrazol-4-yl]propenoic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19F2N3O3
InChI InChI=1S/C26H19F2N3O3/c1-16-20(15-22(26(33)34)29-25(32)18-10-6-3-7-11-18)24(17-8-4-2-5-9-17)31(30-16)23-14-19(27)12-13-21(23)28/h2-15H,1H3,(H,29,32)(H,33,34)/b22-15+
InChIKey WPGFHEKIWUUORO-PXLXIMEGSA-N
Molecular Weight 459.453 g/mol
SMILES N(\C(C(=O)O)=C\c1c(n[n](c1-c1ccccc1)-c1c(ccc(c1)F)F)C)C(c1ccccc1)=O
SPLASH splash10-0a4i-0900300000-a7ebc0124d3f6a6ccf7e
Source of Spectrum K-2002-679-5
Synonyms (2E)-2-(benzoylamino)-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenyl-1H-pyrazol-4-yl]-2-propenoic acid (E)-2-benzamido-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenyl-4-pyrazolyl]-2-propenoic acid (E)-2-benzamido-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenylpyrazol-4-yl]prop-2-enoic acid (E)-2-benzamido-3-[1-(2,5-difluorophenyl)-3-methyl-5-phenyl-pyrazol-4-yl]prop-2-enoic acid (E)-2-benzamido-3-[1-[2,5-bis(fluoranyl)phenyl]-3-methyl-5-phenyl-pyrazol-4-yl]prop-2-enoic acid
Wiley ID 1580947