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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GLiqHowT64e
Name Thioctic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number T28606
CAS Registry Number 1077-28-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. 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
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1,2-Dithiolane-3-pentanoic acid
Wiley ID SIAL_13CNMR_012808