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(methylthio)methanethioic acid O-(1-benzylbutyl) ester
SpectraBase Compound ID BS67xssF5uF
InChI InChI=1S/C13H18OS2/c1-3-7-12(14-13(15)16-2)10-11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3
InChIKey KVHBRBZMIVENFE-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C13H18OS2
Exact Mass 254.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 25p8R8GCe0
Name (methylthio)methanethioic acid O-(1-benzylbutyl) ester
Alternate Name(s) (methylthio)methanethioic acid O-(1-phenylpentan-2-yl) ester O-(1-benzylbutyl) methylsulfanylmethanethioate O-(1-phenylpentan-2-yl) methylsulfanylmethanethioate
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Formula C13H18OS2
InChI InChI=1S/C13H18OS2/c1-3-7-12(14-13(15)16-2)10-11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3
InChIKey KVHBRBZMIVENFE-UHFFFAOYSA-N
Molecular Weight 254.406 g/mol
SMILES C(=S)(OC(Cc1ccccc1)CCC)SC
SPLASH splash10-00kg-7900000000-f6ab70b7209892a54cfd
Source of Spectrum AJ-73-477-2
Wiley ID 775302