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cis-4-cyano-5-(1,1-diphenylethyl)-4-(methoxycarbonyl)-3-methyl-3-(p-methylphenyl)-1-pyrazoline
SpectraBase Compound ID Zit8PkrKo3
InChI InChI=1S/C28H27N3O2/c1-20-15-17-23(18-16-20)27(3)28(19-29,25(32)33-4)24(30-31-27)26(2,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18,24H,1-4H3/t24?,27-,28+/m1/s1
InChIKey BVGWWJFJVNXJMK-OTJOWVLVSA-N
Mol Weight 437.54 g/mol
Molecular Formula C28H27N3O2
Exact Mass 437.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnDLi7olwuW
Name cis-4-cyano-5-(1,1-diphenylethyl)-4-(methoxycarbonyl)-3-methyl-3-(p-methylphenyl)-1-pyrazoline
Alternate Name(s) Methyl (3R,4R)-4-cyano-5-(1,1-diphenylethyl)-3-methyl-3-(4-methylphenyl)-4,5-dihydro-3H-pyrazole-4-carboxylate
CAS Registry Number 117919-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N3O2
InChI InChI=1S/C28H27N3O2/c1-20-15-17-23(18-16-20)27(3)28(19-29,25(32)33-4)24(30-31-27)26(2,21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-18,24H,1-4H3/t24?,27-,28+/m1/s1
InChIKey BVGWWJFJVNXJMK-OTJOWVLVSA-N
Molecular Weight 437.543 g/mol
SMILES [C@@]1(C(N=N[C@@]1(c1ccc(cc1)C)C)C(c1ccccc1)(c1ccccc1)C)(C(=O)OC)C#N
SPLASH splash10-0k92-0986000000-dcf72a17a7b0f6f64563
Source of Spectrum J-54-639-0
Wiley ID 1383870