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网站主页CAS数据库列表 98-56-6更多图谱对氯三氟甲苯(98-56-6)质谱(MS)

对氯三氟甲苯

产品名称 对氯三氟甲苯

CAS号98-56-6

分子式C7H4ClF3

分子量180.55

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  • Mass

    MS-NW-4315          
    p-chloro-alpha,alpha,alpha-trifluorotoluene
    C7H4ClF3            (Mass of molecular ion:    180)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          31.0       1.9
          37.0       2.8
          38.0       3.0
          39.0       1.1
          49.0       1.8
          50.0      13.1
          51.0       4.7
          57.0       2.3
          61.0       1.5
          62.0       2.4
          63.0       2.6
          69.0       4.8
          72.0       2.4
          73.0       2.7
          74.0       7.1
          75.0      18.2
          76.0       3.6
          80.0       2.1
          80.5       2.4
          81.0       1.7
          85.0       1.8
          93.0       1.1
          94.0       1.7
          95.0       8.4
          99.0       2.7
         111.0       5.9
         113.0       1.9
         119.0       1.4
         125.0       7.6
         126.0       3.3
         130.0      24.1
         131.0       1.8
         132.0       7.5
         143.0       1.5
         144.0       1.9
         145.0      44.8
         146.0       3.6
         161.0      37.7
         162.0       3.2
         163.0      12.1
         164.0       1.0
         179.0       4.4
         180.0     100.0
         181.0       9.8
         182.0      33.3
         183.0       2.6
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H4 Cl F3 0.02 ml : 0.5 ml CDCl3
    p-chloro-alpha,alpha,alpha-trifluorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.543 B 7.469

         Hz     ppm     Int.
    

        682.94   7.626    155
        680.69   7.601     68
        680.06   7.594     59
        676.63   7.556    117
        673.94   7.526   1000
        670.56   7.488    966
        668.19   7.461    146
        667.88   7.458    150
        665.50   7.431     51
        664.44   7.419     71
        663.88   7.413     72
        663.19   7.405     66
        663.06   7.404     66
        662.50   7.398     95
        661.88   7.391    138
        661.13   7.382    145
    

in CDCl3



liquid film



4880 A,200 M,liquid