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3-[(1S,2S)-2-allyl-3-keto-cyclohexyl]propionic acid ethyl ester
SpectraBase Compound ID FVLrbR1Lt4n
InChI InChI=1S/C14H22O3/c1-3-6-12-11(7-5-8-13(12)15)9-10-14(16)17-4-2/h3,11-12H,1,4-10H2,2H3/t11-,12-/m0/s1
InChIKey BIVXFULHONJLLQ-RYUDHWBXSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ColvyxcZBhw
Name 3-[(1S,2S)-2-allyl-3-keto-cyclohexyl]propionic acid ethyl ester
Alternate Name(s) 3-[(1S,2S)-3-oxo-2-prop-2-enylcyclohexyl]propanoic acid ethyl ester Ethyl 3-[(1S,2S)-2-allyl-3-oxo-cyclohexyl]propanoate Ethyl 3-[(1S,2S)-3-oxidanylidene-2-prop-2-enyl-cyclohexyl]propanoate Ethyl 3-[(1S,2S)-3-oxo-2-prop-2-enylcyclohexyl]propanoate
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Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-3-6-12-11(7-5-8-13(12)15)9-10-14(16)17-4-2/h3,11-12H,1,4-10H2,2H3/t11-,12-/m0/s1
InChIKey BIVXFULHONJLLQ-RYUDHWBXSA-N
Molecular Weight 238.327 g/mol
SMILES C1([C@]([C@](CCC(=O)OCC)(CCC1)[H])(CC=C)[H])=O
SPLASH splash10-000i-7900000000-335ed344be05384ffcec
Source of Spectrum J-61-6437-12
Wiley ID 1240893