| SpectraBase Spectrum ID |
8GXiFjPnZgW |
| Name |
Thioctic acid methyl ester |
| Classification |
Choleretic derivative |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
220.059172101 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.345 g/mol |
| Nominal Mass |
220 u |
| Quality |
974 |
| Retention Index |
1793 |
| SMILES |
C1(SSCC1)CCCCC(OC)=O |
| SPLASH |
splash10-00di-9840000000-3263d1deea2a5dcdd0ec |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 5-(1,2-dithiolan-3-yl)pentanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012078 |
