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5-(1-cyclohex-2-enyl)-5-oxopentanoic acid ethyl ester
SpectraBase Compound ID 2IFibNiiTTw
InChI InChI=1S/C13H20O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h4,7,11H,2-3,5-6,8-10H2,1H3
InChIKey XCIMHMYZZIOLTB-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12cKyCPwSd9
Name 5-(1-cyclohex-2-enyl)-5-oxopentanoic acid ethyl ester
Alternate Name(s) 5-cyclohex-2-en-1-yl-5-keto-valeric acid ethyl ester Ethyl 5-cyclohex-2-en-1-yl-5-oxidanylidene-pentanoate Ethyl 5-cyclohex-2-en-1-yl-5-oxo-pentanoate
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Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-2-16-13(15)10-6-9-12(14)11-7-4-3-5-8-11/h4,7,11H,2-3,5-6,8-10H2,1H3
InChIKey XCIMHMYZZIOLTB-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C(=O)(OCC)CCCC(=O)C1C=CCCC1
SPLASH splash10-056r-1920000000-e34296b6440c40b1c5dc
Source of Spectrum J-60-1378-6
Wiley ID 1225384