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4-Nonenoic acid, 4-methyl-8-oxo-, methyl ester, (E)-
SpectraBase Compound ID HtJdYS965CF
InChI InChI=1S/C11H18O3/c1-9(5-4-6-10(2)12)7-8-11(13)14-3/h5H,4,6-8H2,1-3H3/b9-5+
InChIKey TXGQOHLAZAJPOK-WEVVVXLNSA-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 1sSwN4SV1st
Name 4-Nonenoic acid, 4-methyl-8-oxo-, methyl ester, (E)-
Alternate Name(s) Methyl (4E)-4-methyl-8-oxo-4-nonenoate (E)-4-methyl-8-oxo-4-nonenoic acid methyl ester (E)-8-keto-4-methyl-non-4-enoic acid methyl ester Methyl (E)-4-methyl-8-oxidanylidene-non-4-enoate Methyl (E)-4-methyl-8-oxo-non-4-enoate
CAS Registry Number 67884-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-9(5-4-6-10(2)12)7-8-11(13)14-3/h5H,4,6-8H2,1-3H3/b9-5+
InChIKey TXGQOHLAZAJPOK-WEVVVXLNSA-N
Molecular Weight 198.262 g/mol
SMILES COC(=O)CC\C(C)=C\CCC(C)=O
SPLASH splash10-000x-9400000000-6c2993453aaaeade90de
Source of Spectrum C-100-5524-0
Wiley ID 1195461