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2-Chloro-4-(methylthio)butanoic acid
SpectraBase Compound ID 7mfmEsvpsIY
InChI InChI=1S/C5H9ClO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey NEUOCIDFSLEIKV-UHFFFAOYSA-N
Mol Weight 168.64 g/mol
Molecular Formula C5H9ClO2S
Exact Mass 168.001178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96EGM4FGRCZ
Name 2-Chloro-4-(methylthio)butanoic acid
Alternate Name(s) 2-Chloro-4-methylsulfanylbutanoic acid 2-Chloro-4-methylsulfanyl-butanoic acid 2-Chloranyl-4-methylsulfanyl-butanoic acid
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Formula C5H9ClO2S
InChI InChI=1S/C5H9ClO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey NEUOCIDFSLEIKV-UHFFFAOYSA-N
Molecular Weight 168.638 g/mol
SMILES OC(C(CCSC)Cl)=O
SPLASH splash10-046r-9500000000-7702b6f46549ef638751
Source of Spectrum CRT-9-62-fig.7-B
Wiley ID 1709613