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邻甲苯异氰酸酯

产品名称 邻甲苯异氰酸酯

CAS号614-68-6

分子式C8H7NO

分子量133.15

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  • Mass

    MS-IW-3836          
    o-tolyl isocyanate
    C8H7NO              (Mass of molecular ion:    133)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       1.7
          37.0       1.3
          38.0       2.3
          39.0       6.1
          50.0       5.9
          51.0       9.8
          51.5       1.3
          52.0       8.1
          52.5       2.1
          53.0       1.3
          61.0       1.0
          62.0       2.0
          63.0       4.8
          64.0       2.6
          65.0       3.6
          66.5       1.9
          74.0       1.3
          75.0       2.0
          76.0       3.6
          77.0      11.7
          78.0      25.8
          79.0       5.1
          89.0       4.8
          90.0       3.4
          91.0      10.9
         102.0       1.1
         103.0       1.9
         104.0      64.5
         105.0      37.6
         106.0       3.1
         132.0      29.4
         133.0     100.0
         134.0       9.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H7 N O 0.05 ml : 0.5 ml CDCl3
    o-tolyl isocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.13 B *1 7.09 C *1 7.05 D 6.993 E 2.267

         Hz     ppm     Int.
    

       2853.76   7.141    142
       2852.78   7.139    134
       2852.05   7.137    104
       2847.17   7.125    165
       2846.19   7.122    178
       2845.58   7.121    202
       2844.97   7.119    187
       2842.77   7.114     71
       2842.16   7.112     71
       2837.16   7.100    150
       2836.67   7.098    165
       2835.08   7.094    134
       2834.59   7.093    142
       2829.22   7.080    188
       2827.64   7.076    131
       2827.15   7.075    141
       2825.56   7.071    183
       2823.73   7.066    231
       2818.24   7.052    170
       2816.53   7.048    180
       2810.79   7.034     68
       2809.20   7.030     60
       2799.07   7.004    216
       2797.36   7.000    213
       2791.38   6.985    138
       2789.92   6.981    150
        906.01   2.268   1000
    

in CDCl3



liquid film