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N-(4-chlorophenyl)-5-(4-(methylsulfonyl)phenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
SpectraBase Compound ID HMpYNK8xMCv
InChI InChI=1S/C23H20ClN3O3S/c1-31(29,30)20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)26-27(22)23(28)25-19-11-9-18(24)10-12-19/h2-14,22H,15H2,1H3,(H,25,28)
InChIKey IFCCCXOEMNOFPB-UHFFFAOYSA-N
Mol Weight 453.94 g/mol
Molecular Formula C23H20ClN3O3S
Exact Mass 453.09139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HFy04S6cWr
Name N-(4-chlorophenyl)-5-(4-(methylsulfonyl)phenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClN3O3S
InChI InChI=1S/C23H20ClN3O3S/c1-31(29,30)20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)26-27(22)23(28)25-19-11-9-18(24)10-12-19/h2-14,22H,15H2,1H3,(H,25,28)
InChIKey IFCCCXOEMNOFPB-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202000832
Molecular Weight 453.944 g/mol
SMILES N(c1ccc(Cl)cc1)C(=O)N1N=C(CC1c1ccc(cc1)S(C)(=O)=O)c1ccccc1
SPLASH splash10-0udj-2927000000-83fff4ca32dd84bc5c3e
Source of Spectrum CBD-18-SM47-22
Wiley ID 1865161