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5-(3-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylic Acid

View entire compound with spectra: 1 MS (GC)

5-(3-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylic Acid
SpectraBase Compound ID IXvAqqJje00
InChI InChI=1S/C16H11ClN2O2/c17-12-6-4-5-11(9-12)15-14(16(20)21)10-18-19(15)13-7-2-1-3-8-13/h1-10H,(H,20,21)
InChIKey XOLSCJGUWHISMM-UHFFFAOYSA-N
Mol Weight 298.73 g/mol
Molecular Formula C16H11ClN2O2
Exact Mass 298.050905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2wDZyjFBRo
Name 5-(3-Chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylic Acid
Alternate Name(s) 5-(3-Chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid 5-(3-Chlorophenyl)-1-phenylpyrazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN2O2
InChI InChI=1S/C16H11ClN2O2/c17-12-6-4-5-11(9-12)15-14(16(20)21)10-18-19(15)13-7-2-1-3-8-13/h1-10H,(H,20,21)
InChIKey XOLSCJGUWHISMM-UHFFFAOYSA-N
Molecular Weight 298.729 g/mol
SMILES OC(c1c([n](-c2ccccc2)nc1)-c1cc(Cl)ccc1)=O
SPLASH splash10-0f92-5091000000-37c123bea15e709afd8c
Source of Spectrum U1-2011-1889-16
Wiley ID 1665052