1,3-Benzenedisulfonyl Chloride(585-47-7) ¹³C NMR

Product Name1,3-Benzenedisulfonyl Chloride

CAS 585-47-7

Molecular FormulaC6H4Cl2O4S2

Molecular Weight275.13

InChIInChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H

InChIKey ALIQZUMMPOYCIS-UHFFFAOYSA-N

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

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Mass

MS-IW-9166          
m-benzenedisulfonyl dichloride
C6H4Cl2O4S2         (Mass of molecular ion:    274)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       1.7
      18.0       8.7
      28.0       2.8
      35.0       1.6
      36.0      11.7
      37.0       1.7
      38.0       6.6
      39.0       3.4
      44.0       1.5
      45.0       3.5
      48.0       6.6
      49.0       1.2
      50.0      44.8
      51.0       4.8
      52.0       1.9
      58.0       1.0
      61.0       1.2
      62.0       1.9
      63.0       5.8
      64.0      15.8
      65.0       1.2
      69.0       4.8
      70.0       5.7
      73.0       3.0
      74.0      12.3
      75.0      54.3
      76.0      53.4
      77.0       5.7
      79.0       1.1
      80.0       1.7
      81.0       1.0
      82.0       1.2
      83.0       1.3
      84.0       1.5
      92.0       8.7
      93.0       1.0
      95.0       2.8
      96.0       2.8
      99.0      18.8
     100.0       1.1
     101.0       5.9
     102.0       8.7
     103.0       1.2
     108.0       1.8
     111.0      13.3
     112.0       1.7
     113.0       4.2
     124.0       1.8
     126.0       2.6
     127.0       1.0
     128.0       1.0
     175.0      93.4
     176.0       7.3
     177.0      35.0
     178.0       2.7
     179.0       1.6
     223.0       1.2
     239.0     100.0
     240.0       8.4
     241.0      42.2
     242.0       3.5
     243.0       3.6
     274.0       4.2
     276.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ Cl₂ O₄ S₂	0.040 g : 0.5 ml CDCl₃
m-benzenedisulfonyl dichloride

    Assign.     Shift(ppm)

      A             8.686
      B             8.425
      C             7.990

     Hz     ppm     Int.

   3473.27   8.691    311
   3472.90   8.690    343
   3471.44   8.687    650
   3471.07   8.686    625
   3469.60   8.682    379
   3469.12   8.681    350
   3372.44   8.439    919
   3370.48   8.434    870
   3367.31   8.426     49
   3364.38   8.419   1000
   3362.43   8.414    981
   3201.54   8.011    333
   3201.17   8.010    327
   3198.12   8.003     22
   3196.41   7.999     23
   3193.36   7.991    579
   3185.55   7.971    279
   3185.06   7.970    277

in CDCl3