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4-[3-(1-cyano-2-ethoxy-2-keto-ethyl)hex-5-enyl]benzoic acid ethyl ester
SpectraBase Compound ID 8FogqJro6xF
InChI InChI=1S/C20H25NO4/c1-4-7-16(18(14-21)20(23)25-6-3)11-8-15-9-12-17(13-10-15)19(22)24-5-2/h4,9-10,12-13,16,18H,1,5-8,11H2,2-3H3
InChIKey CJRKDAUSHCKDAX-UHFFFAOYSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3vfoWup4yO
Name 4-[3-(1-cyano-2-ethoxy-2-keto-ethyl)hex-5-enyl]benzoic acid ethyl ester
Alternate Name(s) 4-[3-(1-cyano-2-ethoxy-2-oxoethyl)hex-5-enyl]benzoic acid ethyl ester Ethyl 4-[3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)hex-5-enyl]benzoate Ethyl 4-[3-(1-cyano-2-ethoxy-2-oxo-ethyl)hex-5-enyl]benzoate
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Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-4-7-16(18(14-21)20(23)25-6-3)11-8-15-9-12-17(13-10-15)19(22)24-5-2/h4,9-10,12-13,16,18H,1,5-8,11H2,2-3H3
InChIKey CJRKDAUSHCKDAX-UHFFFAOYSA-N
Molecular Weight 343.423 g/mol
SMILES C(C(=O)OCC)(C#N)C(CCc1ccc(C(=O)OCC)cc1)CC=C
SPLASH splash10-01oy-0940000000-8486ae5ee12e29fa688a
Source of Spectrum SK-28-1902-4
Wiley ID 868567