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Octanoic acid, 6-(4-carboxy-3-methylbutoxy)-7-hydroxy-, dimethyl ester, (-)-
SpectraBase Compound ID KqGCZinTBND
InChI InChI=1S/C16H30O6/c1-12(11-16(19)21-4)9-10-22-14(13(2)17)7-5-6-8-15(18)20-3/h12-14,17H,5-11H2,1-4H3
InChIKey OIUKIGNDFDEKNQ-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C16H30O6
Exact Mass 318.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fTIMvi0560
Name Octanoic acid, 6-(4-carboxy-3-methylbutoxy)-7-hydroxy-, dimethyl ester, (-)-
CAS Registry Number 30244-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O6
InChI InChI=1S/C16H30O6/c1-12(11-16(19)21-4)9-10-22-14(13(2)17)7-5-6-8-15(18)20-3/h12-14,17H,5-11H2,1-4H3
InChIKey OIUKIGNDFDEKNQ-UHFFFAOYSA-N
Molecular Weight 318.410 g/mol
SMILES OC(C(OCCC(CC(OC)=O)C)CCCCC(OC)=O)C
SPLASH splash10-004i-5900000000-aac65128ccacaace2467
Source of Spectrum JZ-1992-2533-0
Synonyms Methyl 7-hydroxy-6-[(5-methoxy-3-methyl-5-oxopentyl)oxy]octanoate 7-Hydroxy-6-(5-keto-5-methoxy-3-methyl-pentoxy)caprylic acid methyl ester 7-Hydroxy-6-(5-methoxy-3-methyl-5-oxopentoxy)octanoic acid methyl ester Methyl 6-(5-methoxy-3-methyl-5-oxidanylidene-pentoxy)-7-oxidanyl-octanoate Methyl 7-hydroxy-6-(5-methoxy-3-methyl-5-oxo-pentoxy)octanoate
Wiley ID 1318329