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Butanoic acid, 3-(ethylthio)-
SpectraBase Compound ID GaLKOFvPtX2
InChI InChI=1S/C6H12O2S/c1-3-9-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey CFYGRPLJFXVZKY-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 B2mlEYfdRIW
Name 3-(ethylthio)butyric acid
CAS Registry Number 89534-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2S
InChI InChI=1S/C6H12O2S/c1-3-9-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey CFYGRPLJFXVZKY-UHFFFAOYSA-N
Molecular Weight 148.220 g/mol
SMILES OC(CC(SCC)C)=O
SPLASH splash10-03dv-9200000000-d5767c678da9f7bd3693
Source of Spectrum JZ-1992-4227-0
Synonyms 3-Ethylsulfanylbutanoic acid Butanoic acid, 3-(ethylthio)-
Wiley ID 1145222