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网站主页CAS数据库列表 586-78-7更多图谱1-溴-4-硝基苯(586-78-7)ESR图谱

1-溴-4-硝基苯

产品名称 1-溴-4-硝基苯

CAS号586-78-7

分子式C6H4BrNO2

分子量202.01

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  • Mass

    MS-NW-8782          
    p-bromonitrobenzene
    C6H4BrNO2           (Mass of molecular ion:    201)
    

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

          18.0       1.1
          26.0       1.0
          28.0       4.0
          30.0      17.3
          37.0       5.6
          38.0       8.5
          39.0       2.9
          49.0       4.0
          50.0      60.2
          51.0       8.5
          61.0       2.7
          62.0       3.0
          63.0       7.6
          64.0       6.5
          73.0       6.6
          74.0      31.7
          75.0     100.0
          76.0      80.4
          77.0       5.3
          80.0       1.3
          82.0       1.2
          90.0       1.1
          92.0       3.8
         105.0       1.0
         107.0       1.0
         117.0       2.2
         119.0       2.1
         129.0       2.8
         131.0       2.8
         143.0      25.0
         144.0       1.4
         145.0      24.2
         146.0       1.4
         155.0      73.9
         156.0       5.6
         157.0      71.6
         158.0       4.9
         171.0      45.0
         172.0       3.1
         173.0      44.0
         174.0       3.0
         185.0       2.6
         187.0       2.6
         201.0      84.0
         202.0       6.0
         203.0      81.6
         204.0       5.9
    

90 MHz in CDCl3

parameter in acetone


  • 1H NMR 89.56 MHz
    C6 H4 Br N O2 0.041 g : 0.5 ml CDCl3
    p-bromonitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.096 B 7.694 J(A,B)=9.1HZ

         Hz     ppm     Int.
    

        733.25   8.188     57
        730.56   8.158    579
        728.44   8.134    203
        726.88   8.117     33
        723.69   8.081    233
        721.44   8.056    902
        718.81   8.027    127
        695.38   7.765    120
        692.75   7.736   1000
        690.50   7.710    273
        688.81   7.692     37
        688.25   7.685     33
        685.81   7.658    202
        683.63   7.634    609
        681.00   7.604     66
    


  • 1H NMR 300 MHz
    C6 H4 Br N O2 6 mol% in acetone
    p-bromonitrobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.19 D(B) 7.87 J(A,A') 2.8 J(A,B) 8.6 J(A,B') 0.4 J(A',B) 0.4 J(A',B') 8.6 J(B,B') 2.3 DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)

         Hz     ppm     Int.
    

       2464.56   8.215     89
       2461.66   8.206    822
       2459.50   8.198    293
       2454.93   8.183    322
       2452.72   8.176   1000
       2449.86   8.166    118
       2368.14   7.894    118
       2365.28   7.884    999
       2363.07   7.877    322
       2358.51   7.862    293
       2356.34   7.854    823
       2353.45   7.845     89
    

in CDCl3



KBr disc



nujol mull



4880 A,100M,powder



REACTION WITH TERT-BUTYL-MGCL