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401-80-9

3-Fluorobenzotrifluoride

Product Name 3-Fluorobenzotrifluoride

CAS401-80-9

MFC7H4F4

MW164.1

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  • 401-80-9_ms
    Mass

    MS-IW-1254          
    alpha,alpha,alpha,3-tetrafluorotoluene
    C7H4F4              (Mass of molecular ion:    164)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          31.0       1.2
          50.0       3.2
          51.0       1.6
          57.0       1.5
          62.0       1.3
          63.0       2.3
          68.0       1.7
          69.0       4.1
          72.0       1.0
          72.5       1.7
          74.0       2.1
          75.0       9.6
          82.0       1.9
          88.0       1.2
          93.0       1.5
          94.0       2.3
          95.0       9.5
          99.0       1.1
         113.0       2.6
         114.0      42.1
         115.0       2.8
         125.0       2.3
         143.0       2.7
         144.0       2.1
         145.0      47.7
         146.0       3.8
         163.0      30.5
         164.0     100.0
         165.0       7.6
    

400 MHz in CDCl3

  • 401-80-9_1hnmr

    1H NMR 399.65 MHz
    C7 H4 F4 0.05 ml : 0.5 ml CDCl3
    alpha,alpha,alpha,3-tetrafluorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.43 B 7.41 C 7.300 D 7.221

         Hz     ppm     Int.
    

       2984.38   7.468    162
       2978.76   7.454    172
       2976.32   7.448    474
       2971.19   7.435    485
       2968.38   7.428    452
       2963.38   7.415    621
       2962.77   7.414    619
       2962.04   7.412    621
       2960.45   7.408    996
       2959.84   7.407   1000
       2954.22   7.393    233
       2953.61   7.391    297
       2952.64   7.389    389
       2952.03   7.387    397
       2924.56   7.318    354
       2924.07   7.317    364
       2922.49   7.313    515
       2922.00   7.312    520
       2920.41   7.308    392
       2915.77   7.296    361
       2915.16   7.295    373
       2913.70   7.291    515
       2913.09   7.290    535
       2912.48   7.288    467
       2911.62   7.286    412
       2895.63   7.246    233
       2895.14   7.245    268
       2894.29   7.243    290
       2893.80   7.241    293
       2893.07   7.240    266
       2892.46   7.238    253
       2891.85   7.236    250
       2887.08   7.225    429
       2886.72   7.224    432
       2885.13   7.220    529
       2883.18   7.215    384
       2879.64   7.206    187
       2878.91   7.204    209
       2877.81   7.201    246
       2877.32   7.200    261
       2876.95   7.199    257
       2876.22   7.197    210
       2875.37   7.195    201
       2874.76   7.194    182
    

in CDCl3

  • 401-80-9_13cnmr

liquid film

  • 401-80-9_ir1

  • 401-80-9_raman