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网站主页CAS数据库列表 108-37-2更多图谱间氯溴苯(108-37-2)质谱(MS)

间氯溴苯

产品名称 间氯溴苯

CAS号108-37-2

分子式C6H4BrCl

分子量191.45

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  • Mass

    MS-NW-0872          
    m-bromochlorobenzene
    C6H4BrCl            (Mass of molecular ion:    190)
    

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

          28.0       1.9
          36.0       1.2
          37.0       5.5
          37.5       1.3
          38.0       6.2
          39.0       1.0
          49.0       5.0
          50.0      27.0
          51.0       7.3
          55.0       4.8
          56.0       1.5
          61.0       2.1
          62.0       1.1
          72.0       1.0
          73.0       5.7
          74.0      19.8
          75.0      51.1
          76.0      11.3
          77.0       2.3
          78.0       2.2
          79.0       1.0
          84.0       2.7
          85.0       4.3
          86.0       1.1
          87.0       1.3
          95.0       5.3
          96.0       6.7
          97.0       1.6
         110.0       2.1
         111.0      93.3
         112.0       6.9
         113.0      29.9
         114.0       2.0
         155.0       1.8
         157.0       1.5
         190.0      75.5
         191.0       5.2
         192.0     100.0
         193.0       6.8
         194.0      23.4
         195.0       1.6
    

90 MHz in CDCl3

parameter in TMS


  • 1H NMR 89.56 MHz
    C6 H4 Br Cl 0.04 ml : 0.5 ml CDCl3
    m-bromochlorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.499 B 7.372 C 7.278 D 7.161

         Hz     ppm     Int.
    

        674.06   7.527    313
        673.38   7.519    316
        672.25   7.507    875
        671.69   7.500    826
        670.25   7.484    626
        669.81   7.479    589
        667.63   7.455     43
        665.88   7.436    325
        664.06   7.415    508
        662.81   7.401     46
        662.13   7.394    225
        661.38   7.385     52
        658.69   7.355    412
        656.81   7.334    831
        655.44   7.319    472
        655.00   7.314    605
        653.44   7.297    292
        651.63   7.276     40
        649.31   7.251    799
        647.56   7.231   1000
        646.19   7.216    187
        645.25   7.205    950
        644.56   7.197    891
        638.06   7.125    413
        637.44   7.118    484
        636.75   7.110    211
        630.06   7.036    157
        629.63   7.031    155
    


  • 1H NMR 300 MHz
    C6 H4 Br Cl 10 mol% in TMS
    m-bromochlorobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.420 D(B) 7.136 D(C) 6.976 D(D) 7.247 J(A,B) 1.96 J(A,C) 0.36 J(A,D) 1.87 J(B,C) 8.06 J(B,D) 0.95 J(C,D) 8.06 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)

         Hz     ppm     Int.
    

       2227.89   7.426    506
       2226.03   7.420   1000
       2224.16   7.414    561
       2179.72   7.266    327
       2178.70   7.262    376
       2177.88   7.260    348
       2176.86   7.256    316
       2171.72   7.239    391
       2170.70   7.236    459
       2169.89   7.233    421
       2168.87   7.230    389
       2146.61   7.155    302
       2145.60   7.152    336
       2144.69   7.149    320
       2143.68   7.146    293
       2138.56   7.129    439
       2137.55   7.125    447
       2136.64   7.122    465
       2135.63   7.119    387
       2100.29   7.001    622
       2092.27   6.974    936
       2084.25   6.947    368
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid