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[3-(4-Chlorophenyl)-1-phenylpyrazol-5-yl]acetic acid
SpectraBase Compound ID 2ZWYkGq2AM0
InChI InChI=1S/C17H13ClN2O2/c18-13-8-6-12(7-9-13)16-10-15(11-17(21)22)20(19-16)14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22)
InChIKey KKIXGRZARBHUAV-UHFFFAOYSA-N
Mol Weight 312.76 g/mol
Molecular Formula C17H13ClN2O2
Exact Mass 312.066555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhztbcWLXi0
Name [3-(4-Chlorophenyl)-1-phenylpyrazol-5-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN2O2
InChI InChI=1S/C17H13ClN2O2/c18-13-8-6-12(7-9-13)16-10-15(11-17(21)22)20(19-16)14-4-2-1-3-5-14/h1-10H,11H2,(H,21,22)
InChIKey KKIXGRZARBHUAV-UHFFFAOYSA-N
Molecular Weight 312.756 g/mol
SMILES OC(Cc1[n](nc(c1)-c1ccc(cc1)Cl)-c1ccccc1)=O
SPLASH splash10-03di-1139000000-ed9186cd1b32f8cc6fc5
Source of Spectrum Y1-32-927-4
Synonyms [3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]acetic acid
Wiley ID 1526184