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(E)-7-ketooct-2-enoic acid methyl ester
SpectraBase Compound ID E9yDUXBmvKj
InChI InChI=1S/C9H14O3/c1-8(10)6-4-3-5-7-9(11)12-2/h5,7H,3-4,6H2,1-2H3/b7-5+
InChIKey CZDIAFWZQBFKHZ-FNORWQNLSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qzYWACMOf9
Name (E)-7-ketooct-2-enoic acid methyl ester
Alternate Name(s) Methyl (E)-7-oxooct-2-enoate (E)-7-oxo-2-octenoic acid methyl ester Methyl (E)-7-oxidanylideneoct-2-enoate
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Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-8(10)6-4-3-5-7-9(11)12-2/h5,7H,3-4,6H2,1-2H3/b7-5+
InChIKey CZDIAFWZQBFKHZ-FNORWQNLSA-N
Molecular Weight 170.208 g/mol
SMILES C(\C=C\CCCC(=O)C)(=O)OC
SPLASH splash10-03ei-6900000000-e5801660e311a2440768
Source of Spectrum F-56-9276-5
Wiley ID 859196