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3-(tert-butylthio)butanoic acid methyl ester
SpectraBase Compound ID A8svNbjJXc9
InChI InChI=1S/C9H18O2S/c1-7(6-8(10)11-5)12-9(2,3)4/h7H,6H2,1-5H3
InChIKey QUAONGFYFYEIKT-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C9H18O2S
Exact Mass 190.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjCmUMlbwLc
Name 3-(tert-butylthio)butanoic acid methyl ester
Alternate Name(s) 3-(tert-butylthio)butyric acid methyl ester 3-t-Butylthiobutyric acid, methyl ester Methyl 3-tert-butylsulfanylbutanoate
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Formula C9H18O2S
InChI InChI=1S/C9H18O2S/c1-7(6-8(10)11-5)12-9(2,3)4/h7H,6H2,1-5H3
InChIKey QUAONGFYFYEIKT-UHFFFAOYSA-N
Molecular Weight 190.301 g/mol
SMILES C(C(=O)OC)C(SC(C)(C)C)C
SPLASH splash10-0a4i-9200000000-f4748609953f0c336278
Wiley ID 1487578