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4-[(E)-4-cyano-5-ethoxy-5-keto-pent-3-enyl]benzoic acid ethyl ester
SpectraBase Compound ID 12UZJ5QfXsf
InChI InChI=1S/C17H19NO4/c1-3-21-16(19)14-10-8-13(9-11-14)6-5-7-15(12-18)17(20)22-4-2/h7-11H,3-6H2,1-2H3/b15-7+
InChIKey OSFLFBBNOIIXBP-VIZOYTHASA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5svsVnMo3CG
Name 4-[(E)-4-cyano-5-ethoxy-5-keto-pent-3-enyl]benzoic acid ethyl ester
Alternate Name(s) 4-[(E)-4-cyano-5-ethoxy-5-oxopent-3-enyl]benzoic acid ethyl ester Ethyl 4-[(E)-4-cyano-5-ethoxy-5-oxidanylidene-pent-3-enyl]benzoate Ethyl 4-[(E)-4-cyano-5-ethoxy-5-oxo-pent-3-enyl]benzoate
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Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-3-21-16(19)14-10-8-13(9-11-14)6-5-7-15(12-18)17(20)22-4-2/h7-11H,3-6H2,1-2H3/b15-7+
InChIKey OSFLFBBNOIIXBP-VIZOYTHASA-N
Molecular Weight 301.342 g/mol
SMILES C(\C(C#N)=C\CCc1ccc(C(=O)OCC)cc1)(=O)OCC
SPLASH splash10-08fr-0960000000-98ad5094ea15e3702a0d
Source of Spectrum SK-28-3890-4
Wiley ID 880275