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3H-Pyrazole-4-carboxylic acid, 5-[1-(4-chlorophenyl)-1-phenylethyl]-4-cyano-4,5-dihydro-3-methyl-3-phenyl-, methyl ester
SpectraBase Compound ID 7IqscL9tup1
InChI InChI=1S/C27H24ClN3O2/c1-25(19-10-6-4-7-11-19,20-14-16-22(28)17-15-20)23-27(18-29,24(32)33-3)26(2,31-30-23)21-12-8-5-9-13-21/h4-17,23H,1-3H3
InChIKey QBHWHMJYDFTSIP-UHFFFAOYSA-N
Mol Weight 457.96 g/mol
Molecular Formula C27H24ClN3O2
Exact Mass 457.155705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5ig9vzRXsG
Name 3H-Pyrazole-4-carboxylic acid, 5-[1-(4-chlorophenyl)-1-phenylethyl]-4-cyano-4,5-dihydro-3-methyl-3-phenyl-, methyl ester
CAS Registry Number 117918-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24ClN3O2
InChI InChI=1S/C27H24ClN3O2/c1-25(19-10-6-4-7-11-19,20-14-16-22(28)17-15-20)23-27(18-29,24(32)33-3)26(2,31-30-23)21-12-8-5-9-13-21/h4-17,23H,1-3H3
InChIKey QBHWHMJYDFTSIP-UHFFFAOYSA-N
Molecular Weight 457.961 g/mol
SMILES C1(C(N=NC1(c1ccccc1)C)C(c1ccc(cc1)Cl)(c1ccccc1)C)(C(=O)OC)C#N
SPLASH splash10-004i-0090000000-678a6b27b3e27671a649
Source of Spectrum J-54-638-0
Synonyms Methyl 5-[1-(4-chlorophenyl)-1-phenylethyl]-4-cyano-3-methyl-3-phenyl-4,5-dihydro-3H-pyrazole-4-carboxylate
Wiley ID 1389652