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(E)-2-acetyl-3-octenoic acid methyl ester
SpectraBase Compound ID FATPOkZSj14
InChI InChI=1S/C11H18O3/c1-4-5-6-7-8-10(9(2)12)11(13)14-3/h7-8,10H,4-6H2,1-3H3/b8-7+
InChIKey OLRHINYSJKXOFB-BQYQJAHWSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 144QaqKzG1K
Name (E)-2-acetyl-3-octenoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-4-5-6-7-8-10(9(2)12)11(13)14-3/h7-8,10H,4-6H2,1-3H3/b8-7+
InChIKey OLRHINYSJKXOFB-BQYQJAHWSA-N
Molecular Weight 198.262 g/mol
SMILES CC(C(\C=C\CCCC)C(=O)OC)=O
SPLASH splash10-000i-0900000000-4897c44e6fb7fd8c4abc
Source of Spectrum SO-0-705-5
Synonyms (E)-2-acetyloct-3-enoic acid methyl ester methyl (E)-2-acetyloct-3-enoate methyl (E)-2-ethanoyloct-3-enoate
Wiley ID 1544969