p-Toluenesulfonamide (70-55-3) IR1

Product Namep-Toluenesulfonamide

CAS 70-55-3

Molecular FormulaC7H9NO2S

Molecular Weight171.22

InChIInChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

InChIKey LMYRWZFENFIFIT-UHFFFAOYSA-N

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

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p-Toluenesulfonamide (70-55-3) IR1
Mass

MS-NW-1770          
p-toluenesulfonamide
C7H9NO2S            (Mass of molecular ion:    171)

   Source Temperature: 200 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       1.9
      38.0       2.0
      39.0      14.3
      40.0       1.2
      41.0       3.6
      50.0       4.6
      51.0       7.0
      52.0       2.0
      53.0       1.8
      61.0       1.0
      62.0       3.7
      63.0      10.9
      64.0       3.3
      65.0      29.6
      66.0       1.9
      74.0       1.2
      75.0       1.0
      77.0       5.7
      78.0       1.5
      79.0       3.1
      89.0       8.6
      90.0       4.8
      91.0     100.0
      92.0       7.9
     106.0       6.0
     107.0      19.6
     108.0      14.0
     109.0       1.0
     139.0       1.1
     155.0      30.9
     156.0       2.7
     157.0       1.5
     171.0      38.7
     172.0       3.6
     173.0       2.0

90 MHz in DMSO-d6

p-Toluenesulfonamide (70-55-3) IR1

¹H NMR	89.56 MHz
C₇ H₉ N O₂ S	0.043 g : 0.5 ml CDCl₃
p-toluenesulfonamide

    Assign.     Shift(ppm)

      A             7.72
      B             7.36
      C             7.26
      D             2.364

     Hz     ppm     Int.

    696.00   7.772    284
    689.50   7.699    174
    687.69   7.679    478
    663.19   7.405    341
    662.56   7.398    372
    654.63   7.310    283
    653.94   7.302    261
    650.25   7.261    373
    211.75   2.365   1000

DMSO-d6