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3-(3-methylsulfinylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
SpectraBase Compound ID 9getTuB6lWk
InChI InChI=1S/C12H13F3N2O2S2/c1-21(18)6-2-5-17-9-4-3-8(19-12(13,14)15)7-10(9)20-11(17)16/h3-4,7,16H,2,5-6H2,1H3
InChIKey ZUTYOWLYFOYODR-UHFFFAOYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C12H13F3N2O2S2
Exact Mass 338.037055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkoqzYulvzs
Name 3-(3-methylsulfinylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine
Alternate Name(s) 3-(3-methylsulfinylpropyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine [3-(3-methylsulfinylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine
Comments Less than 3 mono-isotopic peaks
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Formula C12H13F3N2O2S2
InChI InChI=1S/C12H13F3N2O2S2/c1-21(18)6-2-5-17-9-4-3-8(19-12(13,14)15)7-10(9)20-11(17)16/h3-4,7,16H,2,5-6H2,1H3
InChIKey ZUTYOWLYFOYODR-UHFFFAOYSA-N
Molecular Weight 338.363 g/mol
SMILES N=C1Sc2c(N1CCCS(=O)C)ccc(c2)OC(F)(F)F
SPLASH splash10-00e9-0090000000-e855d2594f3de8b89743
Source of Spectrum F2-42-2840-70
Wiley ID 1600296