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Back ChemicalBook Home>CAS DataBase List>55514-14-2More Spectrum> 3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate(55514-14-2) 1H NMR

3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate(55514-14-2) 1H NMR

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



  •     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

3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate(55514-14-2) 1H NMR Atlas of Related Products

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