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(E)-2-(4-Cyano-phenyl)-3-(4-methoxy-phenoxycarbonyl)-but-2-enedioic acid dimethyl ester
SpectraBase Compound ID 8fE3BV2cU5I
InChI InChI=1S/C21H17NO7/c1-26-15-8-10-16(11-9-15)29-21(25)18(20(24)28-3)17(19(23)27-2)14-6-4-13(12-22)5-7-14/h4-11H,1-3H3/b18-17+
InChIKey RWKMCHXUWPNXPZ-ISLYRVAYSA-N
Mol Weight 395.37 g/mol
Molecular Formula C21H17NO7
Exact Mass 395.100502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yjYC7Vfwm8
Name (E)-2-(4-Cyano-phenyl)-3-(4-methoxy-phenoxycarbonyl)-but-2-enedioic acid dimethyl ester
Alternate Name(s) Dimethyl 1-[(p-methoxyphenoxy)carbonyl]-2-(p-cyanophenyl)ethene-1,2-dicarboxylate (p-Methoxyphenyl) Dimethyl 1-(p-cyanophenyl)ethene-1,2,2-tricarboxylate (p-Methoxyphenyl) Dimethyl 1-(p-cyanophenyl)propene-1,2,3-tricarboxylate 1-(4-Methoxyphenyl) 1,2-dimethyl (E)-2-(4-cyanophenyl)-1,1,2-ethenetricarboxylate
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Formula C21H17NO7
InChI InChI=1S/C21H17NO7/c1-26-15-8-10-16(11-9-15)29-21(25)18(20(24)28-3)17(19(23)27-2)14-6-4-13(12-22)5-7-14/h4-11H,1-3H3/b18-17+
InChIKey RWKMCHXUWPNXPZ-ISLYRVAYSA-N
Molecular Weight 395.367 g/mol
SMILES C(\C(=C\(C(=O)OC)c1ccc(C#N)cc1)C(=O)OC)(Oc1ccc(cc1)OC)=O
SPLASH splash10-0fk9-5890000000-4cfd14932226b23215b3
Source of Spectrum I-79-367-12
Wiley ID 812915