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DL-Thioctic acid
SpectraBase Compound ID ENyuBP5IcCJ
InChI InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChIKey AGBQKNBQESQNJD-UHFFFAOYSA-N
Mol Weight 206.32 g/mol
Molecular Formula C8H14O2S2
Exact Mass 206.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mnzcP2u2Rk
Name Thioctic acid
CAS Registry Number 1077-28-7
Classification Pharmaceutical drug, choleretic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 206.043522037 u
Formula C8H14O2S2
InChI InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChIKey AGBQKNBQESQNJD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 206.318 g/mol
Nominal Mass 206 u
Quality 962
Retention Index 1880
SMILES OC(CCCCC1SSCC1)=O
SPLASH splash10-052b-9210000000-8d991932a57fb289368a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 5-(1,2-Dithiolan-3-yl)pentanoic acid
Technique GC/MS
Wiley ID DD2024_012077