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3-硝基苯磺酰氯

CAS号121-51-7

分子式C6H4ClNO4S

分子量221.62

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  • Mass

    MS-IW-3452          
    m-nitrobenzenesulfonyl chloride
    C6H4ClNO4S          (Mass of molecular ion:    221)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          28.0       2.2
          30.0       3.1
          36.0       2.1
          37.0       1.3
          38.0       2.6
          39.0       2.6
          45.0       1.1
          48.0       2.2
          50.0      25.3
          51.0       5.4
          52.0       1.3
          62.0       1.5
          63.0       5.2
          64.0       8.1
          65.0       1.9
          69.0       1.8
          70.0       1.5
          73.0       1.6
          74.0       8.7
          75.0      37.0
          76.0      32.7
          77.0       8.1
          91.0       3.6
          92.0      12.5
          93.0       1.6
          95.0       1.2
          96.0       1.1
          99.0       5.3
         101.0       1.7
         111.0       3.7
         113.0       1.1
         122.0      53.6
         123.0       7.1
         124.0       1.4
         155.0       1.7
         170.0       1.1
         175.0       2.7
         177.0       1.0
         186.0     100.0
         187.0       8.0
         188.0       5.6
         221.0       8.7
         223.0       3.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H4 Cl N O4 S 0.063 g : 0.5 ml CDCl3
    m-nitrobenzenesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.882 B 8.624 C 8.394 D 7.933

         Hz     ppm     Int.
    

        798.06   8.911    439
        797.63   8.907    484
        795.81   8.886   1000
        794.00   8.866    661
        793.56   8.861    631
        778.56   8.694    412
        777.44   8.681    488
        776.38   8.669    382
        775.25   8.657    398
        770.38   8.602    482
        769.25   8.590    591
        768.25   8.579    475
        767.13   8.566    502
        757.94   8.463    431
        756.75   8.450    499
        756.06   8.442    439
        754.88   8.429    439
        749.94   8.374    663
        748.81   8.361    597
        748.06   8.353    689
        746.94   8.341    555
        717.56   8.013    696
        717.13   8.008    745
        709.50   7.923    932
        709.13   7.918    959
        701.50   7.833    409
        701.06   7.828    419
    

in CDCl3



KBr disc



nujol mull





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