For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

DL-Thioctic acid

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

View Spectrum of DL-Thioctic acid

FTIR Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany
Source of Spectrum Forensic Spectral Research
Catalog Number 5931
Technique KBr0

View Spectrum of DL-Thioctic acid

FTIR Spectrum
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique KBr-Pellet

View Spectrum of DL-Thioctic acid

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample E. MERCK AG, DARMSTADT, GERMANY
Technique KBr WAFER

View Spectrum of DL-Thioctic acid

FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number T28606
Technique Mull

View Spectrum of DL-Thioctic acid

ATR-IR Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany
Source of Spectrum Forensic Spectral Research
Catalog Number 5931

View Spectrum of DL-Thioctic acid

ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number T28606

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

View Spectrum of DL-Thioctic acid

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number T28606
Solvent CDCl3

View Spectrum of DL-Thioctic acid

1H NMR Spectrum
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of DL-Thioctic acid

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3

View Spectrum of DL-Thioctic acid

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number T28606
Solvent CDCl3

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PG-1982-1385-0

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Y-11-120-5

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of DL-Thioctic acid

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of DL-Thioctic acid

Raman Spectrum
Copyright Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany
Source of Spectrum Forensic Spectral Research
Catalog Number 5931
  • alpha-Lipoic acid
  • DL-1,2-dithiolane-3-valeric acid
  • Thioctic acid
  • AGBQKNBQESQNJD-UHFFFAOYSA-N
  • 1,2-DITHIOLANE-3-VALERIC ACID
  • 1,2-DITHIOLANE-3-VALERIC ACID, DL-,
  • 6,8-THIOCTIC ACID, DL-,
  • Lipoic acid
  • 1,2-Dithiolane-3-pentanoic acid
  • 5-(1,2-Dithiolan-3-yl)pentanoic acid
  • (R)-(+)-alpha-Lipoic acid
(R)-α-Lipoic acid
3-Octyl-[1,2]dithiolane
1,2-Dithiolane-3-propanoic acid
OCTOTIAMINE-ARTIFACT 2
DISULFIDE, DECYL 1-METHYLNONYL
6-IODO-OCTADECANOIC-ACID
o-Dithiane-3-carboxylic acid
(Z)-6-Methyl-12-heptadecenoic acid
6-Ethyloctadecanoic acid
11-[(carboxymethyl)thio]undecanoic acid, 11-methyl ester
Title Journal or Book Year
10.1002/(sici)1097-458x(199702)35:2<111::aid-omr29>3.3.co;2-j "" ""

Wiley Registry of Mass Spectral Data 12th Edition
Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library. Learn more.

Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.