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401-81-0

3-Iodobenzotrifluoride

Product Name 3-Iodobenzotrifluoride

CAS401-81-0

MFC7H4F3I

MW272.01

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  • 401-81-0_ms
    Mass

    MS-NW-8812          
    alpha,alpha,alpha-trifluoro-m-iodotoluene
    C7H4F3I             (Mass of molecular ion:    272)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          38.0       1.2
          50.0       9.8
          51.0       2.7
          57.0       2.0
          69.0       3.6
          73.0       1.0
          74.0       5.4
          75.0      12.9
          76.0       4.7
          94.0       1.9
          95.0      17.3
          96.0       1.1
          99.0       2.0
         119.0       1.7
         125.0       9.7
         126.0       3.8
         127.0       2.4
         136.0       1.1
         143.0       1.6
         144.0       2.7
         145.0      92.5
         146.0       7.1
         253.0       6.2
         272.0     100.0
         273.0       7.7
    

400 MHz in CDCl3

  • 401-81-0_1hnmr

    1H NMR 399.65 MHz
    C7 H4 F3 I 0.05 ml : 0.5 ml CDCl3
    alpha,alpha,alpha-trifluoro-m-iodotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.954 B 7.868 C 7.578 D 7.200

         Hz     ppm     Int.
    

       3179.20   7.955   1000
       3149.05   7.880    542
       3148.44   7.878    590
       3147.95   7.877    517
       3141.11   7.860    568
       3140.50   7.859    625
       3140.01   7.857    548
       3034.42   7.593    334
       3033.57   7.591    491
       3032.71   7.589    570
       3031.98   7.587    494
       3026.61   7.574    369
       3025.63   7.571    543
       3024.90   7.569    633
       3024.17   7.568    545
       2885.13   7.220    439
       2877.20   7.200    788
       2873.29   7.190     42
       2869.51   7.181    375
    

in CDCl3

  • 401-81-0_13cnmr

liquid film

  • 401-81-0_ir1

  • 401-81-0_raman