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(5E)-2-(1-oxopropyl)octa-5,7-dienoic acid methyl ester
SpectraBase Compound ID Ak0Lym9iMrj
InChI InChI=1S/C12H18O3/c1-4-6-7-8-9-10(11(13)5-2)12(14)15-3/h4,6-7,10H,1,5,8-9H2,2-3H3/b7-6+
InChIKey KCMDDKMEDHCAAH-VOTSOKGWSA-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 DGVwmqyL2aE
Name (5E)-2-(1-oxopropyl)octa-5,7-dienoic acid methyl ester
Alternate Name(s) (5E)-2-propionylocta-5,7-dienoic acid methyl ester Methyl (5E)-2-propanoylocta-5,7-dienoate
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-6-7-8-9-10(11(13)5-2)12(14)15-3/h4,6-7,10H,1,5,8-9H2,2-3H3/b7-6+
InChIKey KCMDDKMEDHCAAH-VOTSOKGWSA-N
Molecular Weight 210.273 g/mol
SMILES C(C(=O)OC)(C(=O)CC)CC\C=C\C=C
SPLASH splash10-01q9-9240000000-7e5fac2a4bae344cfd1b
Source of Spectrum J-60-5090-35
Wiley ID 1209324