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3,5-双三氟甲基苯甲酰胺

产品名称 3,5-双三氟甲基苯甲酰胺

CAS号22227-26-5

分子式C9H5F6NO

分子量257.13

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  • Mass

    MS-IW-9454          
    3,5-bis(trifluoromethyl)benzamide
    C9H5F6NO            (Mass of molecular ion:    257)
    

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

          18.0       2.6
          28.0       2.9
          31.0       1.3
          44.0      19.3
          50.0       2.6
          51.0       1.4
          57.0       1.5
          69.0       5.8
          74.0       4.0
          75.0       9.8
          87.0       1.0
          93.0       1.7
          94.0       1.8
          95.0       1.1
          97.0       1.6
          99.0       3.0
         111.0       1.4
         113.0       1.5
         123.0       1.4
         125.0       3.9
         143.0       9.0
         144.0       8.5
         145.0       2.8
         162.0       2.3
         163.0      16.9
         164.0       1.9
         170.0       4.3
         188.0       1.1
         189.0       1.7
         190.0       1.2
         193.0       3.5
         194.0       5.7
         195.0       1.5
         212.0       1.3
         213.0      73.2
         214.0       6.9
         220.0       3.4
         238.0      20.0
         239.0       7.3
         240.0       1.8
         241.0     100.0
         242.0       9.9
         257.0      40.7
         258.0       4.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H5 F6 N O 0.039 g : 0.5 ml DMSO-d6
    3,5-bis(trifluoromethyl)benzamide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.566 B *1 8.52 C 8.302 D *1 7.93

         Hz     ppm     Int.
    

       3433.72   8.592     23
       3423.95   8.568    992
       3423.46   8.567   1000
       3406.74   8.525    222
       3317.87   8.302    454
       3167.72   7.927    224
    

in DMSO-d6



KBr disc



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