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4-Heptenoic acid, 2-acetyl-2-methyl-, ethyl ester, (E)-
SpectraBase Compound ID JDbygweoY7B
InChI InChI=1S/C12H20O3/c1-5-7-8-9-12(4,10(3)13)11(14)15-6-2/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey XLHQPMYBSBWQOR-BQYQJAHWSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID At95NAyhtRe
Name 4-Heptenoic acid, 2-acetyl-2-methyl-, ethyl ester, (E)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-7-8-9-12(4,10(3)13)11(14)15-6-2/h7-8H,5-6,9H2,1-4H3/b8-7+
InChIKey XLHQPMYBSBWQOR-BQYQJAHWSA-N
Molecular Weight 212.289 g/mol
SMILES CC(C(C\C=C\CC)(C(=O)OCC)C)=O
SPLASH splash10-0006-9200000000-57853642e44b79c35d92
Synonyms (E)-2-acetyl-2-methyl-4-heptenoic acid ethyl ester (E)-2-acetyl-2-methyl-hept-4-enoic acid ethyl ester Ethyl (4E)-2-acetyl-2-methyl-4-heptenoate Ethyl (E)-2-acetyl-2-methyl-hept-4-enoate Ethyl (E)-2-ethanoyl-2-methyl-hept-4-enoate
Wiley ID 1495647