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2-[(1S,2R)-2-(2-oxopropyl)cyclohexyl]-2-propenoic acid ethyl ester
SpectraBase Compound ID FMrrpoZTtCK
InChI InChI=1S/C14H22O3/c1-4-17-14(16)11(3)13-8-6-5-7-12(13)9-10(2)15/h12-13H,3-9H2,1-2H3/t12-,13-/m1/s1
InChIKey PPQYOVOXFNSBJJ-CHWSQXEVSA-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 K0wVPfWzVA2
Name 2-[(1S,2R)-2-(2-oxopropyl)cyclohexyl]-2-propenoic acid ethyl ester
Alternate Name(s) 2-[(1S,2R)-2-acetonylcyclohexyl]acrylic acid ethyl ester Ethyl 2-[(1S,2R)-2-(2-oxidanylidenepropyl)cyclohexyl]prop-2-enoate Ethyl 2-[(1S,2R)-2-(2-oxopropyl)cyclohexyl]prop-2-enoate Ethyl 2-[(1S,2R)-2-acetonylcyclohexyl]prop-2-enoate
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Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-4-17-14(16)11(3)13-8-6-5-7-12(13)9-10(2)15/h12-13H,3-9H2,1-2H3/t12-,13-/m1/s1
InChIKey PPQYOVOXFNSBJJ-CHWSQXEVSA-N
Molecular Weight 238.327 g/mol
SMILES C([C@@]1([C@@](CC(=O)C)(CCCC1)[H])[H])(C(=O)OCC)=C
SPLASH splash10-0016-3900000000-6108dc708dca69e75cc6
Source of Spectrum F-53-854-5
Wiley ID 800225