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Thioctic acid methyl ester

View entire compound with spectra: 2 MS (GC)

Thioctic acid methyl ester
SpectraBase Compound ID Cd158HPH1sL
InChI InChI=1S/C9H16O2S2/c1-11-9(10)5-3-2-4-8-6-7-12-13-8/h8H,2-7H2,1H3
InChIKey PVXPIJICTUHMAO-UHFFFAOYSA-N
Mol Weight 220.34 g/mol
Molecular Formula C9H16O2S2
Exact Mass 220.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8A9ZmU0XF6x
Name 5-(3-Dithiolanyl)pentanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2S2
InChI InChI=1S/C9H16O2S2/c1-11-9(10)5-3-2-4-8-6-7-12-13-8/h8H,2-7H2,1H3
InChIKey PVXPIJICTUHMAO-UHFFFAOYSA-N
Molecular Weight 220.345 g/mol
SMILES C1SSC(C1)CCCCC(=O)OC
SPLASH splash10-00ea-9820000000-2d40bf410e16bd16e8f5
Source of Spectrum CJ-1992-0-0
Synonyms 5-(dithiolan-3-yl)valeric acid methyl ester Methyl 5-(1,2-dithiolan-3-yl)pentanoate Methyl 5-(dithiolan-3-yl)pentanoate
Wiley ID 1219340