104-15-4

p-Toluenesulfonic acid(104-15-4) IR1

Product Namep-Toluenesulfonic acid

CAS 104-15-4

Molecular FormulaC7H8O3S

Molecular Weight172.2

InChIInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)

InChIKey JOXIMZWYDAKGHI-UHFFFAOYSA-N

SmilesC1(S(O)(=O)=O)=CC=C(C)C=C1

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¹HNMR

¹³CNMR

IR1

p-Toluenesulfonic acid(104-15-4) IR1

    Assign.     Shift(ppm)

      A             7.530
      B             7.170
      C             6.57
      D             2.302

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

p-Toluenesulfonic acid(104-15-4) IR1

       ppm   Int.  Assign.

      144.20   166      1
      138.49   213      2
      128.25  1000      3
      125.45   962      4
       20.69   437      5

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : nujol mull

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