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1H-Pyrazole-4-acetic acid, 5-(4-chlorophenyl)-1-phenyl-
SpectraBase Compound ID 3RYUP6Rc7i
InChI InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-19-20(17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)
InChIKey JVUJLFSZTSVNCS-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 ApR3RFbCI0L
Name 1H-Pyrazole-4-acetic acid, 5-(4-chlorophenyl)-1-phenyl-
Alternate Name(s) [5-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetic acid 2-[5-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]acetic acid 2-[5-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]acetic acid 2-[5-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]ethanoic acid Pyrazole-4-acetic acid, 5-(p-chlorophenyl)-1-phenyl-
CAS Registry Number 32702-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN2O2
InChI InChI=1S/C17H13ClN2O2/c18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-19-20(17)15-4-2-1-3-5-15/h1-9,11H,10H2,(H,21,22)
InChIKey JVUJLFSZTSVNCS-UHFFFAOYSA-N
Molecular Weight 312.756 g/mol
SMILES OC(Cc1cn[n](-c2ccccc2)c1-c1ccc(cc1)Cl)=O
SPLASH splash10-02t9-5194000000-50a2cbdec2b9a7a5dc07
Source of Spectrum U-73-1924-3
Wiley ID 1313210