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网站主页CAS数据库列表 460-00-4更多图谱对溴氟苯(460-00-4)质谱(MS)

对溴氟苯

产品名称 对溴氟苯

CAS号460-00-4

分子式C6H4BrF

分子量175

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  • Mass

    MS-NW-0995          
    p-bromofluorobenzene
    C6H4BrF             (Mass of molecular ion:    174)
    

       Source Temperature: 240 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          18.0       1.0
          28.0       3.0
          31.0       1.8
          37.0       3.5
          38.0       3.0
          39.0       1.4
          47.0       1.2
          49.0       2.4
          50.0      12.4
          51.0       4.3
          57.0       1.6
          61.0       2.3
          62.0       2.4
          63.0       1.9
          68.0       6.3
          69.0       6.7
          73.0       2.2
          74.0       8.1
          75.0      33.2
          76.0       2.9
          87.0       3.5
          88.0       3.3
          92.0       1.4
          93.0       2.5
          94.0       8.3
          95.0     100.0
          96.0       6.8
         174.0      96.8
         175.0       7.0
         176.0      92.9
         177.0       6.1
    

parameter in TMS

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C6 H4 Br F 10 mol% in TMS
    p-bromofluorobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.311 D(B) 6.794 J(A,A') 2.55 J(A,B) 8.79 J(A,B') 0.26 J(A,X) 4.83 J(A',B) 0.26 J(A',B') 8.79 J(A',X) 4.83 J(B,B') 3.16 J(B,X) 8.18 J(B',X) 8.18 LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968)

         Hz     ppm     Int.
    

       2203.82   7.346     78
       2200.37   7.335    794
       2198.17   7.327    374
       2196.68   7.322    390
       2195.19   7.317    322
       2194.09   7.314    471
       2192.70   7.309    361
       2191.32   7.304    916
       2189.20   7.297    271
       2187.80   7.293    179
       2186.46   7.288    846
       2183.57   7.279    117
       2050.13   6.834     92
       2046.70   6.822    883
       2044.45   6.815    291
       2039.95   6.800    430
       2038.44   6.795   1000
       2037.68   6.792    955
       2035.69   6.786    279
       2034.21   6.781    107
       2031.14   6.770    468
       2029.58   6.765    608
       2026.53   6.755    116
    


  • 1H NMR 89.56 MHz
    C6 H4 Br F 0.04 ml : 0.5 ml CDCl3
    p-bromofluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.420 B 6.938 J(A,B)=9.1HZ J(A,F-19)=4.9HZ J(B,F-19)=8.3HZ

         Hz     ppm     Int.
    

        672.56   7.510    629
        672.00   7.504    200
        670.94   7.492     87
        670.25   7.484    200
        667.63   7.455    651
        667.06   7.449    211
        665.75   7.434    269
        665.38   7.430    243
        663.44   7.408    935
        660.88   7.380    239
        660.25   7.373    145
        658.50   7.353    917
        655.25   7.317    105
        632.56   7.063     99
        629.38   7.028    928
        627.00   7.001    230
        624.31   6.971    103
        622.56   6.952    199
        621.06   6.935   1000
        620.25   6.926    753
        618.69   6.909    246
        617.00   6.890     66
        614.19   6.858    184
        612.50   6.839    193
        611.94   6.833    648
        608.63   6.796     55
    

in CDCl3



liquid film



4880 A,200 M,liquid