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3-Cyano-3-(methoxycarbonyl)-5-(4'-nitrophenyl)-2,4-diphenylpyrroline
SpectraBase Compound ID GkSjcmrn4Kl
InChI InChI=1S/C25H19N3O4/c1-32-24(29)25(16-26)21(17-8-4-2-5-9-17)22(18-12-14-20(15-13-18)28(30)31)27-23(25)19-10-6-3-7-11-19/h2-15,21-22H,1H3/t21-,22?,25-/m0/s1
InChIKey IZCJCZDKRDEFAB-KOVVYZNRSA-N
Mol Weight 425.44 g/mol
Molecular Formula C25H19N3O4
Exact Mass 425.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BraTI6dK7vQ
Name 3-Cyano-3-(methoxycarbonyl)-5-(4'-nitrophenyl)-2,4-diphenylpyrroline
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19N3O4
InChI InChI=1S/C25H19N3O4/c1-32-24(29)25(16-26)21(17-8-4-2-5-9-17)22(18-12-14-20(15-13-18)28(30)31)27-23(25)19-10-6-3-7-11-19/h2-15,21-22H,1H3/t21-,22?,25-/m0/s1
InChIKey IZCJCZDKRDEFAB-KOVVYZNRSA-N
Molecular Weight 425.444 g/mol
SMILES [C@@]1(C(=NC([C@@]1(c1ccccc1)[H])c1ccc(N(=O)=O)cc1)c1ccccc1)(C(=O)OC)C#N
SPLASH splash10-000i-1490000000-e03af79487303d6ed500
Source of Spectrum AC-1994-981-19
Synonyms (3S,4R)-3-Cyano-5-(4-nitro-phenyl)-2,4-diphenyl-4,5-dihydro-3H-pyrrole-3-carboxylic acid methyl ester
Wiley ID 811769