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网站主页CAS数据库列表 589-87-7更多图谱对溴碘苯(589-87-7)核磁图(1HNMR)

对溴碘苯

产品名称 对溴碘苯

CAS号589-87-7

分子式C6H4BrI

分子量282.9

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  • Mass

    MS-NW-9318          
    p-bromoiodobenzene
    C6H4BrI             (Mass of molecular ion:    282)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          37.0       2.0
          38.0       1.8
          49.0       2.0
          50.0      19.1
          51.0       2.1
          73.0       3.2
          74.0      13.1
          75.0      23.2
          76.0      23.1
          77.0       1.4
         127.0       2.3
         141.0       3.2
         142.0       3.1
         155.0      41.5
         156.0       3.1
         157.0      40.6
         158.0       2.6
         282.0     100.0
         283.0       6.7
         284.0      97.8
         285.0       6.5
    

90 MHz in CDCl3

parameter in TMS


  • 1H NMR 89.56 MHz
    C6 H4 Br I 0.045 g : 0.5 ml CDCl3
    p-bromoiodobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.527 B 7.224

         Hz     ppm     Int.
    

        682.13   7.617     62
        679.63   7.589    589
        677.56   7.566    199
        673.00   7.515    245
        670.88   7.491   1000
        668.44   7.464    152
        652.63   7.288    135
        651.88   7.279     39
        650.13   7.260   1000
        648.06   7.237    270
        643.50   7.186    191
        641.44   7.163    579
        638.88   7.134     62
    


  • 1H NMR 300 MHz
    C6 H4 Br I 10 mol% in TMS
    p-bromoiodobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.148 D(B) 7.462 J(A,A') 2.40 J(A,B) 8.39 J(A,B') 0.30 J(A',B) 0.30 J(A',B') 8.39 J(B,B') 2.35 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)

         Hz     ppm     Int.
    

       2245.84   7.486     91
       2243.07   7.477    823
       2241.12   7.470    282
       2236.48   7.455    311
       2234.50   7.448   1000
       2231.76   7.439    120
       2151.24   7.171    120
       2148.50   7.162   1000
       2146.52   7.155    311
       2141.88   7.140    282
       2139.93   7.133    823
       2137.17   7.124     92
    

in CDCl3



CCl4 solution



KBr disc



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