98-64-6

4-Chlorobenzenesulfonamide(98-64-6) IR1

Product Name4-Chlorobenzenesulfonamide

CAS 98-64-6

Molecular FormulaC6H6ClNO2S

Molecular Weight191.64

InChIInChI=1S/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey HHHDJHHNEURCNV-UHFFFAOYSA-N

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

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4-Chlorobenzenesulfonamide(98-64-6) IR1
Mass

MS-NW-7211          
p-chlorobenzenesulfonamide
C6H6ClNO2S          (Mass of molecular ion:    191)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       1.7
      18.0       8.0
      28.0       2.1
      37.0       1.9
      38.0       2.8
      39.0       2.5
      45.0       1.0
      45.5       1.1
      48.0       1.2
      49.0       1.6
      50.0      19.3
      51.0       8.1
      61.0       2.1
      62.0       1.4
      63.0       3.3
      63.5       1.6
      64.0       7.5
      65.0       4.0
      69.0       1.3
      73.0       4.2
      74.0      12.2
      75.0      46.5
      76.0       8.9
      77.0       1.1
      80.0       1.1
      84.0       1.5
      85.0       4.6
      87.0       2.0
      92.0       1.6
      99.0       3.7
     100.0       1.2
     101.0       1.2
     108.0       1.1
     110.0       1.8
     111.0     100.0
     112.0       7.3
     113.0      32.5
     114.0       2.5
     127.0      17.5
     128.0      30.4
     129.0       7.9
     130.0       9.9
     131.0       1.5
     159.0       1.0
     175.0      47.8
     176.0       3.6
     177.0      18.0
     178.0       1.3
     191.0      50.4
     192.0       4.5
     193.0      18.9
     194.0       1.7
     195.0       1.0

400 MHz in DMSO-d6

4-Chlorobenzenesulfonamide(98-64-6) IR1

¹H NMR	399.65 MHz
C₆ H₆ Cl N O₂ S	0.036 g : 0.5 ml DMSO-d₆
p-chlorobenzenesulfonamide

    Assign.     Shift(ppm)

      A             7.847
      B             7.664
      C             7.49

     Hz     ppm     Int.

   3140.99   7.860    798
   3139.04   7.855    345
   3134.28   7.843    386
   3132.32   7.838    999
   3129.88   7.832    187
   3067.14   7.675   1000
   3065.19   7.670    383
   3060.30   7.658    346
   3058.47   7.653    794
   3056.03   7.647    151
   3050.54   7.634     23
   3009.28   7.530     26
   3008.91   7.529     27
   3008.18   7.528     29
   2994.87   7.494    836
   2982.79   7.464     37
   2982.18   7.462     34
   2980.71   7.459     29
   2979.49   7.456     24

KBr disc