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8-[2-keto-5-(8-keto-8-methoxy-octyl)-1,3,2-dioxathiolan-4-yl]caprylic acid methyl ester
SpectraBase Compound ID LrUeDmDbjpD
InChI InChI=1S/C20H36O7S/c1-24-19(21)15-11-7-3-5-9-13-17-18(27-28(23)26-17)14-10-6-4-8-12-16-20(22)25-2/h17-18H,3-16H2,1-2H3
InChIKey NIIMWHAQASVORI-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C20H36O7S
Exact Mass 420.218175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Evyinjbrgjj
Name 8-[2-keto-5-(8-keto-8-methoxy-octyl)-1,3,2-dioxathiolan-4-yl]caprylic acid methyl ester
CAS Registry Number 88357-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O7S
InChI InChI=1S/C20H36O7S/c1-24-19(21)15-11-7-3-5-9-13-17-18(27-28(23)26-17)14-10-6-4-8-12-16-20(22)25-2/h17-18H,3-16H2,1-2H3
InChIKey NIIMWHAQASVORI-UHFFFAOYSA-N
Molecular Weight 420.561 g/mol
SMILES C1(OS(OC1CCCCCCCC(OC)=O)=O)CCCCCCCC(OC)=O
SPLASH splash10-0avl-9100000000-96f9e653a7a1e2fee00e
Source of Spectrum W5-1989-35057-30479
Synonyms 8-[5-(8-methoxy-8-oxooctyl)-2-oxo-1,3,2-dioxathiolan-4-yl]octanoic acid methyl ester Dimethyl threo-9,10-sulfinyldioxyoctadecanedioate Methyl 8-[5-(8-methoxy-8-oxidanylidene-octyl)-2-oxidanylidene-1,3,2-dioxathiolan-4-yl]octanoate Methyl 8-[5-(8-methoxy-8-oxo-octyl)-2-oxo-1,3,2-dioxathiolan-4-yl]octanoate
Wiley ID 1377861