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15084-51-2

对叔丁基苯磺酰氯(15084-51-2)质谱(MS)

分子式:C10H13ClO2S

分子量: 232.73

InChI:InChI=1S/C10H13ClO2S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3

InChIKey: YEZADZMMVHWFIY-UHFFFAOYSA-N

Smiles:C1(S(Cl)(=O)=O)=CC=C(C(C)(C)C)C=C1

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    Mass

    MS-KW-0269          
    p-tert-butylbenzenesulfonyl chloride
    C10H13ClO2S         (Mass of molecular ion:    232)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          27.0       2.1
          29.0       3.3
          39.0       4.7
          41.0       7.0
          50.0       2.7
          51.0       4.8
          52.0       1.2
          53.0       1.5
          55.0       2.0
          57.0       4.9
          57.5       2.6
          58.0       7.9
          59.0       1.4
          63.0       2.3
          64.0       1.1
          65.0       2.9
          74.0       1.0
          75.0       1.5
          76.0       2.2
          77.0       9.9
          78.0       3.1
          79.0       1.4
          89.0       2.3
          90.0       3.7
          90.5       1.5
          91.0      13.0
          92.0       1.3
          93.0       1.1
         102.0       2.0
         103.0       4.2
         105.0       3.9
         106.0       2.5
         115.0       6.5
         116.0       2.2
         117.0      10.5
         118.0      20.8
         119.0       2.5
         125.0       2.8
         127.0       1.0
         133.0      11.9
         134.0       3.1
         153.0       1.0
         166.0       1.2
         181.0       1.0
         189.0      11.7
         190.0       1.0
         191.0       4.5
         197.0      10.1
         198.0       1.3
         217.0     100.0
         218.0      11.0
         219.0      37.3
         220.0       4.0
         221.0       1.8
         232.0      15.1
         233.0       1.9
         234.0       5.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10H13ClO2S 0.041 g : 0.5 ml CDCl3
    p-tert-butylbenzenesulfonyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.962 B 7.628 C 1.373

         Hz     ppm     Int.
    

       3190.31   7.981     16
       3187.87   7.975    102
       3185.92   7.970     36
       3181.04   7.957     37
       3178.96   7.952    114
       3176.76   7.947     16
       3056.04   7.645     18
       3053.59   7.639    108
       3051.64   7.634     36
       3046.76   7.622     34
       3044.80   7.617     95
       3042.49   7.611     14
        549.08   1.374   1000
    

in CDCl3

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KBr disk

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Nujol

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