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98-46-4

3-Nitrobenzotrifluoride

Product Name 3-Nitrobenzotrifluoride

CAS98-46-4

MFC7H4F3NO2

MW191.11

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  • 98-46-4_ms
    Mass

    MS-NW-0793          
    alpha,alpha,alpha-trifluoro-3-nitrotoluene
    C7H4F3NO2           (Mass of molecular ion:    191)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       2.7
          30.0      11.6
          31.0       1.0
          37.0       1.4
          38.0       1.9
          39.0       1.8
          50.0       9.8
          51.0       3.2
          57.0       3.4
          61.0       1.0
          62.0       1.5
          63.0       2.7
          69.0       4.7
          73.0       1.1
          74.0       6.0
          75.0      15.5
          76.0       3.9
          81.0       1.5
          83.0       2.8
          94.0       1.6
          95.0      21.0
          96.0       1.3
          99.0       2.8
         113.0       3.3
         119.0       2.6
         125.0      11.5
         126.0       5.7
         133.0      10.2
         143.0       1.3
         144.0       1.3
         145.0     100.0
         146.0       7.6
         161.0       6.0
         172.0      10.8
         175.0       1.4
         191.0      42.9
         192.0       3.5
    

90 MHz in CDCl3

  • 98-46-4_1hnmr

    1H NMR 89.56 MHz
    C7 H4 F3 N O2 0.04 ml : 0.5 ml CDCl3
    alpha,alpha,alpha-trifluoro-3-nitrotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.50 B 8.48 C 7.98 D 7.763

         Hz     ppm     Int.
    

        764.25   8.534    193
        763.50   8.526    335
        762.19   8.511    921
        762.06   8.509    921
        761.31   8.501   1000
        760.69   8.494    925
        754.50   8.425    287
        754.06   8.420    325
        753.19   8.410    369
        752.75   8.405    416
        750.88   8.385    246
        750.56   8.381    229
        722.44   8.067     61
        721.81   8.060    139
        721.19   8.053    187
        720.25   8.043    255
        719.75   8.037    263
        718.81   8.027    205
        718.13   8.019    166
        714.00   7.973    316
        713.38   7.966    418
        712.69   7.958    475
        711.75   7.948    515
        711.00   7.939    384
        710.31   7.932    303
        708.69   7.914     47
        703.88   7.860     50
        702.00   7.839    341
        701.19   7.830    471
        700.38   7.821    362
        694.25   7.752    355
        693.44   7.743    556
        692.69   7.735    420
        690.94   7.715     55
        687.44   7.676     45
        686.56   7.666    120
        685.69   7.657    183
        684.88   7.648    153
        684.19   7.640     64
    

in CDCl3

  • 98-46-4_13cnmr

CCl4 solution

  • 98-46-4_ir1_2

liquid film

  • 98-46-4_ir2

4880 A,200 M,liquid

  • 98-46-4_raman