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2-[3-(2-cyanoethyl)-2-keto-cyclohexyl]acetic acid ethyl ester
SpectraBase Compound ID EWocu6I2BXB
InChI InChI=1S/C13H19NO3/c1-2-17-12(15)9-11-6-3-5-10(13(11)16)7-4-8-14/h10-11H,2-7,9H2,1H3
InChIKey NTBNGFKXIYKZGR-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C13H19NO3
Exact Mass 237.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fABgO1l6ce
Name 2-[3-(2-cyanoethyl)-2-keto-cyclohexyl]acetic acid ethyl ester
Alternate Name(s) 2-[3-(2-cyanoethyl)-2-oxocyclohexyl]acetic acid ethyl ester Ethyl 2-[3-(2-cyanoethyl)-2-oxidanylidene-cyclohexyl]ethanoate Ethyl 2-[3-(2-cyanoethyl)-2-oxo-cyclohexyl]acetate
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Formula C13H19NO3
InChI InChI=1S/C13H19NO3/c1-2-17-12(15)9-11-6-3-5-10(13(11)16)7-4-8-14/h10-11H,2-7,9H2,1H3
InChIKey NTBNGFKXIYKZGR-UHFFFAOYSA-N
Molecular Weight 237.299 g/mol
SMILES C1(C(C(CCC1)CCC#N)=O)CC(=O)OCC
SPLASH splash10-0006-3910000000-028eab796794344281ca
Source of Spectrum E1-35-2463-4
Wiley ID 1574369