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(E)-2-(Benzoylamino)-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propenoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-2-(Benzoylamino)-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propenoic acid
SpectraBase Compound ID 46n73ka4prV
InChI InChI=1S/C21H19N3O3/c1-14-18(15(2)24(23-14)17-11-7-4-8-12-17)13-19(21(26)27)22-20(25)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,22,25)(H,26,27)/b19-13+
InChIKey DXESPDRKZRIHEX-CPNJWEJPSA-N
Mol Weight 361.4 g/mol
Molecular Formula C21H19N3O3
Exact Mass 361.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AtjvLI16l7O
Name (E)-2-(Benzoylamino)-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)propenoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.142641481 u
Formula C21H19N3O3
InChI InChI=1S/C21H19N3O3/c1-14-18(15(2)24(23-14)17-11-7-4-8-12-17)13-19(21(26)27)22-20(25)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,22,25)(H,26,27)/b19-13+
InChIKey DXESPDRKZRIHEX-CPNJWEJPSA-N
Molecular Weight 361.401 g/mol
SMILES C1(=NN(C(=C1\C=C/(NC(=O)C1=CC=CC=C1)C(=O)O)C)C=1C=CC=CC1)C