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2-(2-Hydroxy-1-methylpropyl)-N-methylthiobenzamide isomer

View entire compound with spectra: 2 MS (GC)

2-(2-Hydroxy-1-methylpropyl)-N-methylthiobenzamide isomer
SpectraBase Compound ID EclOJmBW8xJ
InChI InChI=1S/C12H17NOS/c1-8(9(2)14)10-6-4-5-7-11(10)12(15)13-3/h4-9,14H,1-3H3,(H,13,15)
InChIKey ITYVZUIGYBXBQN-UHFFFAOYSA-N
Mol Weight 223.33 g/mol
Molecular Formula C12H17NOS
Exact Mass 223.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WTGauQWFk
Name 2-(2-Hydroxy-1-methylpropyl)-N-methylthiobenzamide isomer
Alternate Name(s) 2-(2-hydroxy-1-methyl-propyl)-N-methyl-benzenecarbothioamide 2-(3-hydroxybutan-2-yl)-N-methylbenzenecarbothioamide N-methyl-2-(3-oxidanylbutan-2-yl)benzenecarbothioamide
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Formula C12H17NOS
InChI InChI=1S/C12H17NOS/c1-8(9(2)14)10-6-4-5-7-11(10)12(15)13-3/h4-9,14H,1-3H3,(H,13,15)
InChIKey ITYVZUIGYBXBQN-UHFFFAOYSA-N
Molecular Weight 223.334 g/mol
SMILES OC(C(c1c(C(NC)=S)cccc1)C)C
SPLASH splash10-002g-1900000000-9673da1eaf0ce875a5fc
Source of Spectrum U1-2002-2584-44
Wiley ID 1522897