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2-[(2,3-DIPHENYLQUINOXALIN-5-YLAMINO)-METHYLENE]-3-OXOBUTANOIC_ACID_METHYLESTER;MAJOR_ISOMER
SpectraBase Compound ID K0oVVvKlygI
InChI InChI=1S/C26H21N3O3/c1-17(30)20(26(31)32-2)16-27-21-14-9-15-22-25(21)29-24(19-12-7-4-8-13-19)23(28-22)18-10-5-3-6-11-18/h3-16,27H,1-2H3/b20-16+
InChIKey FUXHTUMJCZJVOU-CAPFRKAQSA-N
Mol Weight 423.47 g/mol
Molecular Formula C26H21N3O3
Exact Mass 423.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRf1BxwU3sD
Name (2E)-2-[[(2,3-diphenyl-5-quinoxalinyl)amino]methylidene]-3-oxobutanoic acid methyl ester
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Formula C26H21N3O3
InChI InChI=1S/C26H21N3O3/c1-17(30)20(26(31)32-2)16-27-21-14-9-15-22-25(21)29-24(19-12-7-4-8-13-19)23(28-22)18-10-5-3-6-11-18/h3-16,27H,1-2H3/b20-16+
InChIKey FUXHTUMJCZJVOU-CAPFRKAQSA-N
Molecular Weight 423.472 g/mol
SMILES N(\C=C\(C(=O)OC)C(=O)C)c1c2nc(c(-c3ccccc3)nc2ccc1)-c1ccccc1
SPLASH splash10-00di-0029600000-ac85876d6d86f216bf33
Source of Spectrum AH-135-287-3
Synonyms (E)-2-acetyl-3-[(2,3-diphenylquinoxalin-5-yl)amino]acrylic acid methyl ester Methyl (2E)-2-[[(2,3-diphenylquinoxalin-5-yl)amino]methylene]-3-oxo-butanoate Methyl (2E)-2-[[(2,3-diphenylquinoxalin-5-yl)amino]methylidene]-3-oxidanylidene-butanoate Methyl (2E)-2-[[(2,3-diphenylquinoxalin-5-yl)amino]methylidene]-3-oxobutanoate
Wiley ID 1576449