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3-Methyl-2-(methylthio)butanoic acid
SpectraBase Compound ID IivsRASQ8U
InChI InChI=1S/C6H12O2S/c1-4(2)5(9-3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChIKey GOOVJDJKUPKFBP-UHFFFAOYSA-N
Mol Weight 148.22 g/mol
Molecular Formula C6H12O2S
Exact Mass 148.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQYWamLHc80
Name 3-Methyl-2-(methylthio)butanoic acid
Alternate Name(s) 3-Methyl-2-methylsulfanylbutanoic acid 3-Methyl-2-methylsulfanyl-butanoic acid
CAS Registry Number 58475-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2S
InChI InChI=1S/C6H12O2S/c1-4(2)5(9-3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChIKey GOOVJDJKUPKFBP-UHFFFAOYSA-N
Molecular Weight 148.220 g/mol
SMILES OC(C(SC)C(C)C)=O
SPLASH splash10-0pbi-7900000000-34107f1a9bad67bbd31e
Source of Spectrum C-99-3110-0
Wiley ID 1145184