55514-14-2

3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate(55514-14-2) IR1

Product Name3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate

Molecular FormulaC16H17NO3S3

Molecular Weight367.50608

InChIInChI=1S/C9H10NS2.C7H8O3S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey SGABZOJLSUJGFH-UHFFFAOYSA-M

SmilesS1C2=CC=CC=C2[N+](C)=C1SC.C1(S([O-])(=O)=O)=CC=C(C)C=C1

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¹HNMR

IR1

3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate(55514-14-2) IR1

    Assign.     Shift(ppm)

      A             8.380
      B             8.175
      C             7.818
      D             7.713
      E             7.484
      F             7.101
      G             4.087
      J             3.099
      K             2.271

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

Spectral Code: IR : KBr disc

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