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1,2-Dithiolane-3-pentanoic acid, 1TMS
SpectraBase Compound ID GrLQ4s06jGc
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
Mol Weight 278.5 g/mol
Molecular Formula C11H22O2S2Si
Exact Mass 278.083049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ykXBd9SuOB
Name 1,2-Dithiolane-3-pentanoic acid, 1TMS
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)
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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
Synonyms 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
Wiley ID 1817868