4-Chlorobenzenesulfonyl chloride(98-60-2) ¹³C NMR

Product Name4-Chlorobenzenesulfonyl chloride

CAS 98-60-2

Molecular FormulaC6H4Cl2O2S

Molecular Weight211.07

InChIInChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChIKey ZLYBFBAHAQEEQQ-UHFFFAOYSA-N

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

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Mass

MS-NW-1901          
p-chlorobenzenesulfonyl chloride
C6H4Cl2O2S          (Mass of molecular ion:    210)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      28.0       1.2
      36.0       1.1
      37.0       2.3
      38.0       3.6
      39.0       1.4
      45.0       1.2
      48.0       1.5
      49.0       1.7
      50.0      21.4
      51.0       8.0
      61.0       2.1
      62.0       1.3
      63.0       2.3
      64.0       1.7
      69.0       1.5
      73.0       5.0
      74.0      11.7
      75.0      43.8
      76.0       8.4
      84.0       1.3
      85.0       4.6
      87.0       1.6
      99.0       2.5
     108.0       1.2
     111.0     100.0
     112.0       7.8
     113.0      31.9
     114.0       2.4
     127.0       1.2
     146.0       1.7
     148.0       1.1
     159.0       1.5
     175.0      65.3
     176.0       4.9
     177.0      24.2
     178.0       1.8
     179.0       1.1
     210.0      15.6
     211.0       1.2
     212.0      10.8
     214.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₄ Cl₂ O₂ S	0.054 g : 0.5 ml CDCl₃
p-chlorobenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             7.99
      B             7.61

     Hz     ppm     Int.

    723.00   8.073     67
    720.56   8.046    641
    718.44   8.022    210
    713.75   7.970    252
    711.56   7.946    928
    710.13   7.930     65
    709.19   7.919    137
    687.50   7.677    147
    685.13   7.650   1000
    682.94   7.626    263
    682.00   7.616     39
    678.25   7.574    196
    676.13   7.550    599
    674.81   7.535     45
    673.69   7.523     67

in CDCl3