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1694-92-4

邻硝基苯磺酰氯(1694-92-4)Raman光谱

产品名称:邻硝基苯磺酰氯

CAS:1694-92-4

分子式:C6H4ClNO4S

分子量: 221.62

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

InChIKey: WPHUUIODWRNJLO-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=CC=CC=C1[N+]([O-])=O

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    Mass

    MS-IW-3450          
    o-nitrobenzenesulfonyl chloride
    C6H4ClNO4S          (Mass of molecular ion:    221)
    

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

          18.0       1.7
          27.0       1.5
          28.0       2.7
          30.0       9.4
          36.0       4.0
          37.0       1.7
          38.0       4.3
          39.0       8.3
          44.0       2.6
          45.0       1.1
          48.0       9.5
          49.0       1.2
          50.0      27.5
          51.0      17.9
          52.0       4.0
          53.0       3.6
          61.0       1.0
          62.0       1.7
          63.0      10.4
          64.0      23.9
          65.0       4.2
          66.0       1.3
          69.0       1.8
          70.0       1.4
          73.0       1.9
          74.0       8.0
          75.0      19.4
          76.0      21.4
          77.0      21.8
          78.0       7.3
          79.0       3.3
          80.0       2.9
          85.0       1.1
          91.0       3.9
          92.0       9.7
          93.0       2.9
          94.0       3.4
          95.0       1.2
          99.0       3.6
         101.0       1.2
         108.0       1.7
         111.0      14.5
         112.0       1.0
         113.0       4.8
         115.0       1.0
         123.0      10.7
         127.0       1.5
         139.0       1.6
         155.0       2.0
         157.0       3.9
         159.0       1.1
         168.0       1.3
         186.0     100.0
         187.0       8.0
         188.0       5.7
         198.0       3.4
         203.0       1.1
         221.0       5.9
         223.0       2.2
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H4 Cl N O4 S 0.041 g : 0.5 ml CDCl3
    o-nitrobenzenesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.271 B 7.953 C 7.91 D 7.89

         Hz     ppm     Int.
    

       3313.72   8.292     49
       3310.42   8.284    491
       3309.94   8.283    522
       3308.72   8.280    624
       3304.69   8.269     76
       3302.73   8.265    510
       3302.25   8.263    575
       3301.03   8.260    684
       3298.71   8.254     66
       3297.00   8.250     34
       3188.96   7.980    251
       3187.62   7.977    269
       3184.94   7.970     85
       3182.01   7.962    357
       3180.79   7.959    516
       3180.30   7.958    505
       3179.57   7.956    549
       3177.86   7.952    145
       3173.71   7.942    752
       3172.36   7.938    720
       3168.95   7.930     88
       3168.09   7.928     85
       3162.35   7.913    598
       3161.25   7.911   1000
       3158.81   7.904    869
       3157.10   7.900    380
       3154.42   7.893    492
       3152.83   7.889    440
       3151.73   7.887    546
       3151.00   7.885    714
       3150.02   7.882    493
       3149.41   7.881    507
       3146.36   7.873     61
       3146.12   7.873     61
       3143.80   7.867    385
       3142.21   7.863    316
    

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    1H NMR 89.56 MHz
    C6 H4 Cl N O4 S 0.048 g : 0.5 ml CDCl3
    o-nitrobenzenesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.26 B 8.10 to 7.75

         Hz     ppm     Int.
    

        745.63   8.326    142
        743.88   8.306    199
        739.88   8.262    146
        739.38   8.256    157
        738.25   8.244    165
        735.94   8.218    272
        735.06   8.208    150
        714.00   7.973    175
        712.44   7.955    219
        709.81   7.926   1000
        707.31   7.898    653
        704.31   7.865    321
        703.13   7.851    147
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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