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(E)-2-(4-Cyano-phenyl)-3-p-tolyloxycarbonyl-but-2-enedioic acid dimethyl ester
SpectraBase Compound ID 4xMF82OprcY
InChI InChI=1S/C21H17NO6/c1-13-4-10-16(11-5-13)28-21(25)18(20(24)27-3)17(19(23)26-2)15-8-6-14(12-22)7-9-15/h4-11H,1-3H3/b18-17+
InChIKey QNUWWYDXAGJFAK-ISLYRVAYSA-N
Mol Weight 379.37 g/mol
Molecular Formula C21H17NO6
Exact Mass 379.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6lvQpLkufX
Name (E)-2-(4-Cyano-phenyl)-3-p-tolyloxycarbonyl-but-2-enedioic acid dimethyl ester
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Formula C21H17NO6
InChI InChI=1S/C21H17NO6/c1-13-4-10-16(11-5-13)28-21(25)18(20(24)27-3)17(19(23)26-2)15-8-6-14(12-22)7-9-15/h4-11H,1-3H3/b18-17+
InChIKey QNUWWYDXAGJFAK-ISLYRVAYSA-N
Molecular Weight 379.368 g/mol
SMILES C(\C(=C\(C(=O)OC)c1ccc(C#N)cc1)C(=O)OC)(Oc1ccc(cc1)C)=O
SPLASH splash10-0fk9-3490000000-5069142dbe02bb40961c
Source of Spectrum I-79-367-12
Synonyms Dimethyl 1-[(p-methylphenoxy)carbonyl]-2-(p-cyanophenyl)ethene-1,2-dicarboxylate (p-Methylphenyl) Dimethyl 1-(p-cyanophenyl)ethene-1,2,2-tricarboxylate (p-Methylphenyl) Dimethyl 1-(p-cyanophenyl)propene-1,2,3-tricarboxylate 1,2-Dimethyl 1-(4-methylphenyl) (E)-2-(4-cyanophenyl)-1,1,2-ethenetricarboxylate
Wiley ID 842322