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4-[2-(2-cyanophenyl)ethyl]-3-methyl-cyclopent-2-ene-1,1-dicarboxylic acid diethyl ester
SpectraBase Compound ID THJVI6d2N8
InChI InChI=1S/C21H25NO4/c1-4-25-19(23)21(20(24)26-5-2)12-15(3)17(13-21)11-10-16-8-6-7-9-18(16)14-22/h6-9,12,17H,4-5,10-11,13H2,1-3H3
InChIKey XIAJYZCAHLBPNC-UHFFFAOYSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADIlVzRsAWK
Name 4-[2-(2-cyanophenyl)ethyl]-3-methyl-cyclopent-2-ene-1,1-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 4-[2-(2-cyanophenyl)ethyl]-3-methyl-cyclopent-2-ene-1,1-dicarboxylate 4-[2-(2-cyanophenyl)ethyl]-3-methylcyclopent-2-ene-1,1-dicarboxylic acid diethyl ester
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Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-4-25-19(23)21(20(24)26-5-2)12-15(3)17(13-21)11-10-16-8-6-7-9-18(16)14-22/h6-9,12,17H,4-5,10-11,13H2,1-3H3
InChIKey XIAJYZCAHLBPNC-UHFFFAOYSA-N
Molecular Weight 355.434 g/mol
SMILES C1(C=C(C(C1)CCc1c(cccc1)C#N)C)(C(=O)OCC)C(=O)OCC
SPLASH splash10-014r-1940000000-3f19995026553418ad76
Source of Spectrum CV-2003-1179-3
Wiley ID 1611046