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Propanoic acid, 3-(methylthio)-
SpectraBase Compound ID 1VN33OgFLmx
InChI InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey CAOMCZAIALVUPA-UHFFFAOYSA-N
Mol Weight 120.17 g/mol
Molecular Formula C4H8O2S
Exact Mass 120.024501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FemObwEsdpV
Name Propanoic acid, 3-(methylthio)-
CAS Registry Number 646-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H8O2S
InChI InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey CAOMCZAIALVUPA-UHFFFAOYSA-N
Molecular Weight 120.166 g/mol
SMILES OC(CCSC)=O
SPLASH splash10-03di-9200000000-35d40743cad3b2f1501a
Source of Spectrum JZ-1992-4225-0
Synonyms 3-(Methylthio)propionic acid 3-Methylsulfanylpropanoic acid 3-(Methylsulfanyl)propanoic acid 3-Methylthiopropionate 4-Thiapentanoic acid Propionic acid, 3-(methylthio)- 3-(Methylthio)propanoic acid EINECS 211-460-9
Wiley ID 1126998