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DL-Thioctic acid

View entire compound with spectra: 21 NMR, 6 FTIR, 1 Raman, and 9 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTeSO0iqHnU
Name Lipoic acid
CAS Registry Number 62-46-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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
Instrument Name Varian XL-100
Literature Reference J.V. Paukstelis, E.F. Byrne, T.P. O'Connor, J. Org. Chem. 42, 3941 (1977).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3