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cis-4-cyano-5-(1,1-diphenylethyl)-4-(methoxycarbonyl)-3-methyl-3-(p-chlorophenyl)-1-pyrazoline
SpectraBase Compound ID 96OYuoi2Nt0
InChI InChI=1S/C27H24ClN3O2/c1-25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-27(18-29,24(32)33-3)26(2,31-30-23)21-14-16-22(28)17-15-21/h4-17,23H,1-3H3/t23?,26-,27+/m1/s1
InChIKey VBUYRLYKFZCWMO-VNCAGCHFSA-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 B37ALDyJels
Name cis-4-cyano-5-(1,1-diphenylethyl)-4-(methoxycarbonyl)-3-methyl-3-(p-chlorophenyl)-1-pyrazoline
Alternate Name(s) Methyl (3R,4R)-3-(4-chlorophenyl)-4-cyano-5-(1,1-diphenylethyl)-3-methyl-4,5-dihydro-3H-pyrazole-4-carboxylate
CAS Registry Number 117919-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24ClN3O2
InChI InChI=1S/C27H24ClN3O2/c1-25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-27(18-29,24(32)33-3)26(2,31-30-23)21-14-16-22(28)17-15-21/h4-17,23H,1-3H3/t23?,26-,27+/m1/s1
InChIKey VBUYRLYKFZCWMO-VNCAGCHFSA-N
Molecular Weight 457.961 g/mol
SMILES [C@@]1(C(N=N[C@@]1(c1ccc(cc1)Cl)C)C(c1ccccc1)(c1ccccc1)C)(C(=O)OC)C#N
SPLASH splash10-0a4i-0000900000-e420318f33a9166505b7
Source of Spectrum J-54-639-0
Wiley ID 1389653