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(cis, syn)-3,5-Dimethyl-3-phenyl-4-cyano-4-(methoxycarbonyl)-5-(4'-nitrophenyl)pyrazoline
SpectraBase Compound ID 1Q5KP8xpD6x
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+/m1/s1
InChIKey DBMFGTRVECORLE-AQNXPRMDSA-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 7FlnyCfglzP
Name (cis, syn)-3,5-Dimethyl-3-phenyl-4-cyano-4-(methoxycarbonyl)-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+/m1/s1
InChIKey DBMFGTRVECORLE-AQNXPRMDSA-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 splash10-0002-0090000000-bbc88874fcc1488143ba
Source of Spectrum Y-31-230-4
Wiley ID 761418