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Ethyl 5-Oxo-3-[(E)-1-propenyl]octanoate
SpectraBase Compound ID kM7XzUOPGc
InChI InChI=1S/C13H22O3/c1-4-7-11(9-12(14)8-5-2)10-13(15)16-6-3/h4,7,11H,5-6,8-10H2,1-3H3/b7-4+
InChIKey IWZYDGXDLUSZQM-QPJJXVBHSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oEppGGNa7v
Name Ethyl 5-Oxo-3-[(E)-1-propenyl]octanoate
Alternate Name(s) 5-Oxo-3-[(E)-prop-1-enyl]octanoic acid ethyl ester Ethyl 5-oxo-3-[(E)-prop-1-enyl]octanoate Ethyl 5-oxidanylidene-3-[(E)-prop-1-enyl]octanoate
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Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-4-7-11(9-12(14)8-5-2)10-13(15)16-6-3/h4,7,11H,5-6,8-10H2,1-3H3/b7-4+
InChIKey IWZYDGXDLUSZQM-QPJJXVBHSA-N
Molecular Weight 226.316 g/mol
SMILES C(CC(CC(CCC)=O)\C=C\C)(=O)OCC
SPLASH splash10-001i-9820000000-5828d6596a024a37d428
Source of Spectrum U1-2012-5826-15b
Wiley ID 1715683