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Ethyl ester of 2-Acetyl-2,6-octadiencarboxylic acid
SpectraBase Compound ID GvnUy3jXbFv
InChI InChI=1S/C12H18O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h4,6,9H,5,7-8H2,1-3H3/b6-4+,11-9-
InChIKey JKONDBVIDMFOHY-ZVPURADCSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNyUfb7hZIo
Name Ethyl ester of 2-Acetyl-2,6-octadiencarboxylic acid
Alternate Name(s) Ethyl (2Z,6E)-2-acetyl-2,6-octadienoate
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-6-7-8-9-11(10(3)13)12(14)15-5-2/h4,6,9H,5,7-8H2,1-3H3/b6-4+,11-9-
InChIKey JKONDBVIDMFOHY-ZVPURADCSA-N
Molecular Weight 210.273 g/mol
SMILES C(\C(C(=O)C)=C/CC\C=C\C)(=O)OCC
SPLASH splash10-08gm-7900000000-2c29f465a73ce26c37ca
Source of Spectrum H-62-2652-0
Wiley ID 1209117