80-13-7

Halazone(80-13-7) ¹³C NMR

Product NameHalazone

CAS 80-13-7

Molecular FormulaC7H5Cl2NO4S

Molecular Weight270.09

InChIInChI=1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)

InChIKey XPDVQPODLRGWPL-UHFFFAOYSA-N

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

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Halazone(80-13-7) <sup>13</sup>C NMR
Mass

MS-NW-2554          
p-(N,N-dichlorosulfamoyl)benzoic acid
C7H5Cl2NO4S         (Mass of molecular ion:    269)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       2.9
      17.5       1.0
      18.0      12.6
      27.0       2.0
      28.0       6.0
      35.0      11.6
      36.0     100.0
      37.0       3.9
      38.0      31.9
      39.0      11.8
      44.0       8.4
      45.0       3.2
      48.0       5.2
      50.0      16.1
      51.0      11.3
      52.0       1.7
      53.0       2.5
      62.0       1.2
      63.0       3.3
      64.0      10.4
      65.0      68.1
      66.0       4.2
      69.0       1.0
      70.0       4.9
      72.0       3.5
      73.0       1.2
      74.0       6.4
      75.0      11.9
      76.0      15.0
      77.0       3.8
      81.0       1.3
      91.0       1.6
      92.0       1.8
      93.0       8.2
     103.0       4.7
     104.0       5.1
     105.0       2.3
     107.0       1.3
     108.0       1.2
     120.0       2.5
     121.0      89.8
     122.0       8.3
     137.0      16.7
     138.0       7.7
     139.0       2.5
     185.0      50.1
     186.0       4.4
     187.0       2.8
     201.0      14.6
     202.0       1.4
     235.0       1.6

in DMSO-d6