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Diethyl 5,5-Dicyano-4-(4-methylphenyl)-3-{[(E)-(4-methylphenyl)methylidene]amino}cyclopenta-1,3-diene-1,2-dicarboxylate
SpectraBase Compound ID 8nYI5F7IU1P
InChI InChI=1S/C28H25N3O4/c1-5-34-26(32)22-24(27(33)35-6-2)28(16-29,17-30)23(21-13-9-19(4)10-14-21)25(22)31-15-20-11-7-18(3)8-12-20/h7-15H,5-6H2,1-4H3/b31-15+
InChIKey YXBNMKDXAOPHMZ-IBBHUPRXSA-N
Mol Weight 467.53 g/mol
Molecular Formula C28H25N3O4
Exact Mass 467.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKhgGa9JB3S
Name Diethyl 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 C28H25N3O4
InChI InChI=1S/C28H25N3O4/c1-5-34-26(32)22-24(27(33)35-6-2)28(16-29,17-30)23(21-13-9-19(4)10-14-21)25(22)31-15-20-11-7-18(3)8-12-20/h7-15H,5-6H2,1-4H3/b31-15+
InChIKey YXBNMKDXAOPHMZ-IBBHUPRXSA-N
Literature Reference DOI 10.1002/hlca.201000082
Molecular Weight 467.525 g/mol
SMILES C(C1(C#N)C(c2ccc(cc2)C)=C(\N=C\c2ccc(cc2)C)C(C(OCC)=O)=C1C(=O)OCC)#N
SPLASH splash10-05mn-9503500000-ab5d23976e3899264801
Source of Spectrum H-93-2181-4d
Synonyms Diethyl (E)-5,5-dicyano-3-((4-methylbenzylidene)amino)-4-(p-tolyl)cyclopenta-1,3-diene-1,2-dicarboxylate
Wiley ID 1783927