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Dimethyl 5,5-Dicyano-4-(4-methylphenyl)-3-{[(E)-(4-methylphenyl)methylidene]amino}cyclopenta-1,3-diene-1,2-dicarboxylate
SpectraBase Compound ID 6VBmWhY4so2
InChI InChI=1S/C26H21N3O4/c1-16-5-9-18(10-6-16)13-29-23-20(24(30)32-3)22(25(31)33-4)26(14-27,15-28)21(23)19-11-7-17(2)8-12-19/h5-13H,1-4H3/b29-13+
InChIKey BZHQDWNSQAWNBH-VFLNYLIXSA-N
Mol Weight 439.47 g/mol
Molecular Formula C26H21N3O4
Exact Mass 439.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ibj31uTi9T
Name Dimethyl 5,5-Dicyano-4-(4-methylphenyl)-3-{[(E)-(4-methylphenyl)methylidene]amino}cyclopenta-1,3-diene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N3O4
InChI InChI=1S/C26H21N3O4/c1-16-5-9-18(10-6-16)13-29-23-20(24(30)32-3)22(25(31)33-4)26(14-27,15-28)21(23)19-11-7-17(2)8-12-19/h5-13H,1-4H3/b29-13+
InChIKey BZHQDWNSQAWNBH-VFLNYLIXSA-N
Literature Reference DOI 10.1002/hlca.201000082
Molecular Weight 439.471 g/mol
SMILES C(C1(C#N)C(c2ccc(cc2)C)=C(\N=C\c2ccc(cc2)C)C(C(=O)OC)=C1C(=O)OC)#N
SPLASH splash10-000e-9506600000-3108222c2e1268730a39
Source of Spectrum H-93-2181-4c
Synonyms Dimethyl (E)-5,5-dicyano-3-((4-methylbenzylidene)amino)-4-(p-tolyl)cyclopenta-1,3-diene-1,2-dicarboxylate
Wiley ID 1783926