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88-19-7

邻甲苯磺酰胺(88-19-7)核磁图(1HNMR)

产品名称:邻甲苯磺酰胺

CAS:88-19-7

分子式:C7H9NO2S

分子量: 171.22

InChI:InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

InChIKey: YCMLQMDWSXFTIF-UHFFFAOYSA-N

Smiles:C1(S(N)(=O)=O)=CC=CC=C1C

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    Mass

    MS-NW-9139          
    o-toluenesulfonamide
    C7H9NO2S            (Mass of molecular ion:    171)
    

       Source Temperature: 190 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          17.0       1.6
          18.0       9.4
          27.0       1.2
          28.0       2.8
          30.0       3.2
          38.0       1.1
          39.0      12.1
          40.0       1.1
          41.0       3.4
          50.0       2.1
          51.0       5.9
          52.0       1.6
          53.0       1.1
          62.0       2.0
          63.0       9.1
          64.0       4.8
          65.0      34.5
          66.0       2.3
          77.0       7.9
          78.0       4.2
          79.0       4.0
          80.0       1.1
          89.0      24.4
          90.0     100.0
          91.0      72.7
          92.0       5.6
         106.0      71.8
         107.0      21.4
         108.0       3.5
         109.0       2.1
         136.0       2.5
         137.0      19.4
         138.0       1.9
         139.0       1.1
         154.0       9.9
         155.0       2.2
         171.0      35.9
         172.0       3.3
         173.0       1.8
    

400 MHz in DMSO-d6 at 60C

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    1H NMR 399.65 MHz
    C7 H9 N O2 S 0.038 g : 0.5 ml DMSO-d6 at 60 C
    o-toluenesulfonamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.877 B 7.465 C 7.36 D 7.35 E 7.20 F 2.605

         Hz     ppm     Int.
    

       3152.47   7.889    140
       3152.10   7.888    144
       3145.63   7.871    104
       3145.14   7.870    115
       3144.17   7.868    150
       2992.19   7.488     57
       2990.72   7.484     61
       2985.23   7.470     80
       2983.52   7.466    154
       2977.29   7.450    106
       2975.83   7.447    108
       2944.82   7.369    212
       2944.09   7.367    304
       2943.48   7.366    259
       2939.82   7.356     37
       2936.65   7.349    244
       2936.16   7.347    260
       2929.44   7.331     56
       2928.83   7.329     67
       2927.98   7.327     64
       2927.37   7.325     57
       2880.13   7.207    203
       1041.38   2.606   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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