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Ethyl 2-cyano-3-(1",1"-diethoxymethynyl)-5-[p-(ethoxycarbonyl)phenyl]pentanoate
SpectraBase Compound ID EdkFqo07yEf
InChI InChI=1S/C22H31NO6/c1-5-26-20(24)17-12-9-16(10-13-17)11-14-18(22(28-7-3)29-8-4)19(15-23)21(25)27-6-2/h9-10,12-13,18-19,22H,5-8,11,14H2,1-4H3
InChIKey ZMZNCUJUCWJFDV-UHFFFAOYSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlPA4vDCOtE
Name Ethyl 2-cyano-3-(1",1"-diethoxymethynyl)-5-[p-(ethoxycarbonyl)phenyl]pentanoate
Alternate Name(s) Ethyl 2-cyano-3-(1'',1''-diethoxymethynyl)-5-[p-(ethoxycarbonyl)phenyl]pentanoate 4-[4-cyano-3-(diethoxymethyl)-5-ethoxy-5-oxopentyl]benzoic acid ethyl ester Ethyl 4-[4-cyano-3-(diethoxymethyl)-5-ethoxy-5-oxopentyl]benzoate Ethyl 4-[4-cyano-3-(diethoxymethyl)-5-ethoxy-5-oxo-pentyl]benzoate Ethyl 4-[4-cyano-3-(diethoxymethyl)-5-ethoxy-5-oxidanylidene-pentyl]benzoate
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Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-5-26-20(24)17-12-9-16(10-13-17)11-14-18(22(28-7-3)29-8-4)19(15-23)21(25)27-6-2/h9-10,12-13,18-19,22H,5-8,11,14H2,1-4H3
InChIKey ZMZNCUJUCWJFDV-UHFFFAOYSA-N
Molecular Weight 405.491 g/mol
SMILES C(C(CCc1ccc(C(=O)OCC)cc1)C(OCC)OCC)(C(=O)OCC)C#N
SPLASH splash10-000e-0790000000-15a551641311057a9594
Source of Spectrum SK-28-3892-11
Wiley ID 880271