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(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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BhtB0wy8Ix
Name ACETIC ACID, (METHYLTHIO)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Exact Mass 106.008850605 u
Formula C3H6O2S
InChI InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey HGTBAIVLETUVCG-UHFFFAOYSA-N
Molecular Weight 106.139 g/mol
Nominal Mass 106 u
Number of Peaks 27
SMILES CSCC(O)=O
SPLASH splash10-08fr-9400000000-ec380126f5f189979bf1
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_000852