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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 JBllR5wMvwm
Name DL-1,2-DITHIOLANE-3-VALERIC ACID
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 1077-28-7
Copyright Copyright © 1980, 1981-2024 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
Melting Point 59-61C
Molecular Weight 206.33
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 6,8-THIOCTIC ACID, DL-, 1,2-DITHIOLANE-3-VALERIC ACID, DL-,