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(E)-3-(3-chloroanilino)-2-cyano-2-propenoic acid ethyl ester
SpectraBase Compound ID 6rujSUhqeSe
InChI InChI=1S/C12H11ClN2O2/c1-2-17-12(16)9(7-14)8-15-11-5-3-4-10(13)6-11/h3-6,8,15H,2H2,1H3/b9-8+
InChIKey WXFLGONMNQJZFA-CMDGGOBGSA-N
Mol Weight 250.68 g/mol
Molecular Formula C12H11ClN2O2
Exact Mass 250.050905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5mvnLbtxge
Name (E)-3-(3-chloroanilino)-2-cyano-2-propenoic acid ethyl ester
Alternate Name(s) (E)-3-(3-chloroanilino)-2-cyano-acrylic acid ethyl ester Ethyl (E)-3-(3-chloroanilino)-2-cyano-prop-2-enoate Ethyl (E)-3-[(3-chlorophenyl)amino]-2-cyano-prop-2-enoate
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Formula C12H11ClN2O2
InChI InChI=1S/C12H11ClN2O2/c1-2-17-12(16)9(7-14)8-15-11-5-3-4-10(13)6-11/h3-6,8,15H,2H2,1H3/b9-8+
InChIKey WXFLGONMNQJZFA-CMDGGOBGSA-N
Molecular Weight 250.685 g/mol
SMILES N(\C=C\(C(=O)OCC)C#N)c1cc(Cl)ccc1
SPLASH splash10-0ug0-0960000000-277dd7ff2145eacf3bf2
Source of Spectrum O-27-123-2
Wiley ID 1252924