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Ethyl (4E)-2-acetyl-2-methyl-4-hexenoate
SpectraBase Compound ID HL1yMlc0UE1
InChI InChI=1S/C11H18O3/c1-5-7-8-11(4,9(3)12)10(13)14-6-2/h5,7H,6,8H2,1-4H3/b7-5+
InChIKey LQRBFMNUFOTEEW-FNORWQNLSA-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 CrwWBy0WjJw
Name Ethyl (4E)-2-acetyl-2-methyl-4-hexenoate
CAS Registry Number 125163-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-5-7-8-11(4,9(3)12)10(13)14-6-2/h5,7H,6,8H2,1-4H3/b7-5+
InChIKey LQRBFMNUFOTEEW-FNORWQNLSA-N
Molecular Weight 198.262 g/mol
SMILES CC(C\C=C\C)(C(=O)C)C(=O)OCC
SPLASH splash10-054o-9400000000-1aba21dacd069b2a097e
Synonyms (E)-2-acetyl-2-methyl-4-hexenoic acid ethyl ester (E)-2-acetyl-2-methyl-hex-4-enoic acid ethyl ester 4-Hexenoic acid, 2-acetyl-2-methyl-, ethyl ester, (E)- Ethyl (E)-2-acetyl-2-methyl-hex-4-enoate Ethyl (E)-2-ethanoyl-2-methyl-hex-4-enoate
Wiley ID 1495657