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(Methylthio)acetic acid

View entire compound with spectra: 3 NMR, 5 FTIR, 1 Raman, and 5 MS (GC)

(Methylthio)acetic acid
SpectraBase Compound ID HVxXqCnASLw
InChI InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey HGTBAIVLETUVCG-UHFFFAOYSA-N
Mol Weight 106.14 g/mol
Molecular Formula C3H6O2S
Exact Mass 106.008851 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EbPc2eT7baN
Name (Methylthio)acetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 359483
CAS Registry Number 2444-37-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H6O2S
InChI InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey HGTBAIVLETUVCG-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (Methylmercapto)acetic acid
Wiley ID SIAL_1HNMR_007352