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Diethyl 5,5-Dicyano-4-phenyl-3-{[(E)-phenylmethylidene]amino}cyclopenta-1,3-diene-1,2-dicarboxylate
SpectraBase Compound ID 9UNP7cuIqNf
InChI InChI=1S/C26H21N3O4/c1-3-32-24(30)20-22(25(31)33-4-2)26(16-27,17-28)21(19-13-9-6-10-14-19)23(20)29-15-18-11-7-5-8-12-18/h5-15H,3-4H2,1-2H3/b29-15+
InChIKey VMMRTBKHGUHZOF-WKULSOCRSA-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 3BKxDb7fpuS
Name Diethyl 5,5-Dicyano-4-phenyl-3-{[(E)-phenylmethylidene]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/c1-3-32-24(30)20-22(25(31)33-4-2)26(16-27,17-28)21(19-13-9-6-10-14-19)23(20)29-15-18-11-7-5-8-12-18/h5-15H,3-4H2,1-2H3/b29-15+
InChIKey VMMRTBKHGUHZOF-WKULSOCRSA-N
Literature Reference DOI 10.1002/hlca.201000082
Molecular Weight 439.471 g/mol
SMILES C(C1(C#N)C(c2ccccc2)=C(\N=C\c2ccccc2)C(C(=O)OCC)=C1C(=O)OCC)#N
SPLASH splash10-01ri-9006700000-9aec8e0dc3ec84de1395
Source of Spectrum H-93-2182-4f
Synonyms Diethyl (E)-3-(benzylideneamino)-5,5-dicyano-4-phenylcyclopenta-1,3-diene-1,2-dicarboxylate
Wiley ID 1783929