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4-(1-(4-cyanophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoic acid
SpectraBase Compound ID CM7QdGfSR1D
InChI InChI=1S/C23H17N3O2/c24-15-16-6-12-20(13-7-16)26-22(18-4-2-1-3-5-18)14-21(25-26)17-8-10-19(11-9-17)23(27)28/h1-13,22H,14H2,(H,27,28)
InChIKey KEFUGQSMZDVLEZ-UHFFFAOYSA-N
Mol Weight 367.41 g/mol
Molecular Formula C23H17N3O2
Exact Mass 367.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87iAFnPy8Ub
Name 4-(1-(4-cyanophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzoic acid
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.132076797 u
Formula C23H17N3O2
InChI InChI=1S/C23H17N3O2/c24-15-16-6-12-20(13-7-16)26-22(18-4-2-1-3-5-18)14-21(25-26)17-8-10-19(11-9-17)23(27)28/h1-13,22H,14H2,(H,27,28)
InChIKey KEFUGQSMZDVLEZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202101892
Molecular Weight 367.408 g/mol
SMILES OC(C1=CC=C(C2=NN(C3=CC=C(C#N)C=C3)C(C2)C2=CC=CC=C2)C=C1)=O
SPLASH splash10-015c-0906000000-7fe0a0b737e167fa0c26
Source of Spectrum QE-27-SM13-5b (DOI: 10.1002/chem.202101892)
Wiley ID 1904096