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Octanoic acid, 3,5-dioxo-, methyl ester
SpectraBase Compound ID JJHF6PhdvVy
InChI InChI=1S/C9H14O4/c1-3-4-7(10)5-8(11)6-9(12)13-2/h3-6H2,1-2H3
InChIKey WIOUGEQKWPFNOB-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EExmrBS1H82
Name Octanoic acid, 3,5-dioxo-, methyl ester
CAS Registry Number 36568-09-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-3-4-7(10)5-8(11)6-9(12)13-2/h3-6H2,1-2H3
InChIKey WIOUGEQKWPFNOB-UHFFFAOYSA-N
Molecular Weight 186.207 g/mol
SMILES COC(CC(CC(=O)CCC)=O)=O
SPLASH splash10-0r6u-6900000000-9ce7b2b88ee53a42320c
Source of Spectrum I-52-1347-11
Synonyms 3,5-Diketocaprylic acid methyl ester 3,5-Dioxooctanoic acid methyl ester Methyl 3,5-bis(oxidanylidene)octanoate Methyl 3,5-dioxooctanoate
Wiley ID 1182493