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4,6-Octadienoic acid, 2-acetyl-2-methyl-, ethyl ester
SpectraBase Compound ID 5odWVJJED4z
InChI InChI=1S/C13H20O3/c1-5-7-8-9-10-13(4,11(3)14)12(15)16-6-2/h5,7-9H,6,10H2,1-4H3/b7-5+,9-8+
InChIKey OCDJXTPFLMMWKG-ZIRGRKGMSA-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 2y8Y000TBoC
Name 4,6-Octadienoic acid, 2-acetyl-2-methyl-, ethyl ester
Alternate Name(s) (4E,6E)-2-acetyl-2-methyl-octa-4,6-dienoic acid ethyl ester Ethyl (4E,6E)-2-acetyl-2-methyl-4,6-octadienoate Ethyl (4E,6E)-2-acetyl-2-methyl-octa-4,6-dienoate Ethyl (4E,6E)-2-ethanoyl-2-methyl-octa-4,6-dienoate (4E,6E)-2-acetyl-2-methylocta-4,6-dienoic acid ethyl ester
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Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-7-8-9-10-13(4,11(3)14)12(15)16-6-2/h5,7-9H,6,10H2,1-4H3/b7-5+,9-8+
InChIKey OCDJXTPFLMMWKG-ZIRGRKGMSA-N
Molecular Weight 224.300 g/mol
SMILES CC(C\C=C\C=C\C)(C(=O)C)C(=O)OCC
SPLASH splash10-002f-9100000000-6e5ca62c51641bfe6dfe
Wiley ID 1495646