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返回ChemicalBook首页>CAS数据库列表>22236-45-9更多图谱> S,S-二甲基-N-(对甲苯磺酰基)磺基肟(22236-45-9)核磁图(1HNMR)

22236-45-9

S,S-二甲基-N-(对甲苯磺酰基)磺基肟(22236-45-9)核磁图(1HNMR)

分子式:C9H13NO3S2

分子量: 247.33

InChI:InChI=1S/C9H13NO3S2/c1-8-4-6-9(7-5-8)15(12,13)10-14(2,3)11/h4-7H,1-3H3

InChIKey: IRNAWARRPQUZDU-UHFFFAOYSA-N

Smiles:S(=O)(=O)(N=S(=O)(C)C)C1C=CC(C)=CC=1

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    Mass

    MS-NW-7252          
    S,S-dimethyl-N-(p-tolylsulfonyl)sulfoximide
    C9H13NO3S2          (Mass of molecular ion:    247)
    

       Source Temperature: 190 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          15.0       1.3
          17.0       1.4
          18.0       6.1
          27.0       1.9
          28.0       1.8
          29.0       2.4
          38.0       1.0
          39.0      10.2
          41.0       3.3
          45.0       2.0
          46.0       3.1
          47.0       2.0
          50.0       2.4
          51.0       5.2
          52.0       2.4
          53.0       1.3
          61.0       3.2
          62.0       5.3
          63.0      11.9
          64.0       2.6
          65.0      23.1
          66.0       1.8
          76.0       1.5
          77.0       5.4
          78.0      18.7
          79.0       8.3
          80.0       1.2
          89.0       6.5
          90.0       3.2
          91.0      85.1
          92.0       7.6
         104.0       2.7
         105.0      17.4
         106.0       2.6
         107.0       1.6
         120.0       5.6
         121.0       2.2
         139.0       1.7
         140.0     100.0
         141.0       4.3
         142.0       9.3
         155.0      23.4
         156.0       5.5
         157.0       1.5
         168.0       3.9
         183.0      11.3
         184.0       1.4
         232.0       1.9
         247.0      51.5
         248.0       6.5
         249.0       5.4
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C9 H13 N O3 S2 0.039 g : 0.5 ml DMSO-d6
    S,S-dimethyl-N-(p-tolylsulfonyl)sulfoximide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.725 B 7.343 C 3.444 C 2.366

         Hz     ppm     Int.
    

       3091.92   7.737    134
       3083.62   7.716    146
       2938.72   7.354    124
       2930.66   7.334    111
       1376.71   3.445   1000
        945.68   2.367    405
    

KBr disc

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nujol mull

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