鄰甲苯磺酰胺(88-19-7)核磁圖(¹HNMR)

產(chǎn)品名稱:鄰甲苯磺酰胺

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

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

¹H NMR	399.65 MHz
C₇ H₉ N O₂ S	0.038 g : 0.5 ml DMSO-d₆ at 60 C
o-toluenesulfonamide

    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