| SpectraBase Spectrum ID |
7ykXBd9SuOB |
| Name |
1,2-Dithiolane-3-pentanoic acid, 1TMS |
| Alternate Name(s) |
thioctic acid, 1TMS
lipoic acid, 1TMS
lipoate, 1TMS
Heparlipon, 1TMS
Biletan, 1TMS
alpha-Lipoic acid, 1TMS
5-[(3R)-dithiolan-3-yl]pentanoic acid, 1TMS
Trimethylsilyl (R)-5-(1,2-dithiolan-3-yl)pentanoate |
| Comments |
Derivatization type: 1 TMS (mass: 278.083); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000177; Note: The molecular formula of the structure shown is C8H14O2S2 - which differs from the formula reported for the mass spectrum (C11H22O2S2Si) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H22O2S2Si |
| InChI |
InChI=1S/C11H22O2S2Si/c1-16(2,3)13-11(12)7-5-4-6-10-8-9-14-15-10/h10H,4-9H2,1-3H3/t10-/m1/s1 |
| InChIKey |
VYEJVWLMHFWIEA-SNVBAGLBSA-N |
| Molecular Weight |
278.500 g/mol |
| SMILES |
C(CCC(=O)O[Si](C)(C)C)C[C@@]1(CCSS1)[H] |
| SPLASH |
splash10-0aba-3900000000-cd45aa98ce04d04dc92d |
| Source of Spectrum |
FM-2019-177-0 |
| Wiley ID |
1817868 |
