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(cis, syn)-3,5-Dimethyl-3-phenyl-4-cyano-4-(methoxybarbonyl)-5-(4'-nitrophenyl)pyrazoline
SpectraBase Compound ID 5jtbJIl0ijO
InChI InChI=1S/C20H18N4O4/c1-18(14-7-5-4-6-8-14)20(13-21,17(25)28-3)19(2,23-22-18)15-9-11-16(12-10-15)24(26)27/h4-12H,1-3H3/t18-,19+,20+/m0/s1
InChIKey DBMFGTRVECORLE-XUVXKRRUSA-N
Mol Weight 378.39 g/mol
Molecular Formula C20H18N4O4
Exact Mass 378.132805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FStmGVU32eW
Name (cis, syn)-3,5-Dimethyl-3-phenyl-4-cyano-4-(methoxybarbonyl)-5-(4'-nitrophenyl)pyrazoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18N4O4
InChI InChI=1S/C20H18N4O4/c1-18(14-7-5-4-6-8-14)20(13-21,17(25)28-3)19(2,23-22-18)15-9-11-16(12-10-15)24(26)27/h4-12H,1-3H3/t18-,19+,20+/m0/s1
InChIKey DBMFGTRVECORLE-XUVXKRRUSA-N
Molecular Weight 378.388 g/mol
SMILES [C@]1([C@](N=N[C@]1(c1ccccc1)C)(c1ccc(N(=O)=O)cc1)C)(C(=O)OC)C#N
SPLASH splash10-0udi-0198000000-c8898877b3f310d5310f
Source of Spectrum Y-31-230-4
Synonyms (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenyl-4-pyrazolecarboxylic acid methyl ester Methyl (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenylpyrazole-4-carboxylate Methyl (3R,4R,5S)-4-cyano-3,5-dimethyl-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylate
Wiley ID 761419