4-Nitrobenzenesulfonyl chloride(98-74-8) MS

Product Name4-Nitrobenzenesulfonyl chloride

CAS 98-74-8

Molecular FormulaC6H4ClNO4S

Molecular Weight221.62

InChIInChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H

InChIKey JXRGUPLJCCDGKG-UHFFFAOYSA-N

SmilesC1(S(Cl)(=O)=O)=CC=C([N+]([O-])=O)C=C1

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4-Nitrobenzenesulfonyl chloride(98-74-8) MS
Mass

MS-NW-1379          
p-nitrobenzenesulfonyl chloride
C6H4ClNO4S          (Mass of molecular ion:    221)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.2
      28.0       1.8
      30.0       8.0
      36.0       1.6
      37.0       1.7
      38.0       3.6
      39.0       3.2
      44.0       1.0
      45.0       1.5
      48.0       2.5
      50.0      32.9
      51.0       5.5
      52.0       1.5
      53.0       1.1
      56.0       1.0
      61.0       1.1
      62.0       2.0
      63.0       6.1
      64.0       9.0
      65.0       1.3
      69.0       1.9
      70.0       1.6
      73.0       1.7
      74.0      10.3
      75.0      43.4
      76.0      33.6
      77.0       6.3
      92.0      13.4
      93.0       1.4
      95.0       1.0
      99.0       4.4
     101.0       1.4
     111.0       3.1
     113.0       1.1
     122.0      55.4
     123.0       5.7
     175.0       2.1
     186.0     100.0
     187.0       7.9
     188.0       5.4
     221.0       9.2
     223.0       3.3

90 MHz in CDCl3

4-Nitrobenzenesulfonyl chloride(98-74-8) MS

¹H NMR	89.56 MHz
C₆ H₄ Cl N O₄ S	0.058 g : 0.5 ml CDCl₃
p-nitrobenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             8.488
      B             8.288

     Hz     ppm     Int.

    768.63   8.583     52
    766.63   8.560    435
    766.00   8.553    264
    764.31   8.535    174
    759.69   8.483    230
    757.38   8.457    957
    755.44   8.436    211
    753.25   8.411     28
    747.13   8.343    189
    745.19   8.321   1000
    742.88   8.295    272
    741.13   8.276     33
    740.31   8.267     27
    738.19   8.243    175
    736.56   8.225    278
    735.94   8.218    478
    733.94   8.195     61

in CDCl3