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Thiodiacetic acid

View entire compound with spectra: 5 NMR, 3 FTIR, and 2 MS (GC)

Thiodiacetic acid
SpectraBase Compound ID EVg1FaCnMpj
InChI InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey UVZICZIVKIMRNE-UHFFFAOYSA-N
Mol Weight 150.15 g/mol
Molecular Formula C4H6O4S
Exact Mass 149.99868 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KhRsoxL0SDJ
Name 2,2'-Thiodiacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number T30007
CAS Registry Number 123-93-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H6O4S
InChI InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey UVZICZIVKIMRNE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2,2'-Thio-bis(acetic acid); Dicarboxydimethyl sulfide; Thiodiglycolic acid
Wiley ID SIAL_13CNMR_012810