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2-BROMOTHIOPHENOL

Product Name 2-BROMOTHIOPHENOL

CAS6320-02-1

MFC6H5BrS

MW189.07


  • Mass 

    MS-NW-8590          
o-bromobenzenethiol
C6H5BrS             (Mass of molecular ion:    188)


       Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV


          37.0       2.0
      38.0       2.9
      39.0       5.5
      45.0       3.8
      49.0       1.0
      50.0       5.5
      51.0       2.1
      53.0       1.3
      54.0       6.4
      57.0       1.2
      58.0       4.6
      61.0       1.5
      62.0       2.5
      63.0       6.0
      64.0       1.1
      65.0      13.6
      69.0      16.9
      74.0       3.4
      75.0       3.7
      76.0       2.1
      81.0       3.3
      82.0       7.8
      83.0       1.3
      93.0       1.1
      94.0       2.0
      95.0       2.1
     107.0       1.2
     108.0      26.5
     109.0     100.0
     110.0       8.7
     111.0       4.8
     187.0       1.5
     188.0      46.6
     189.0       5.2
     190.0      47.5
     191.0       3.5
     192.0       2.1

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H5 Br S 0.05 ml : 0.5 ml CDCl3
    o-bromobenzenethiol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.469
      B             7.289
      C             7.102
      D             6.933
      E             3.956
     
     CONFIRMED BY LAOCN CALCULATION
     J(A,C)=7.8HZ
     J(B,D)=8.1HZ
     J(C,D)=7.7HZ
     J(A,D)=1.4HZ
     J(B,C)=1.3HZ
     J(A,B)=0.2HZ
  

         Hz     ppm     Int.


        674.31   7.530    197
    672.75   7.512    168
    672.38   7.508    165
    670.81   7.491     41
    670.50   7.487     41
    669.38   7.475     48
    668.81   7.468     53
    666.69   7.445    315
    664.94   7.425    275
    662.44   7.397     35
    661.44   7.386     32
    660.75   7.378     31
    660.00   7.370     35
    658.38   7.352    133
    658.00   7.348    137
    656.13   7.327    203
    654.69   7.311     41
    653.81   7.301     41
    650.88   7.268    295
    650.25   7.261    310
    648.69   7.244    370
    648.31   7.239    330
    646.69   7.221     57
    646.06   7.214     62
    644.56   7.197    185
    642.94   7.179    192
    641.25   7.161     39
    637.38   7.117    338
    635.75   7.099    276
    633.75   7.077     46
    631.75   7.054     40
    629.88   7.034    215
    627.94   7.012    419
    625.75   6.987    290
    624.00   6.968     34
    620.75   6.932    170
    620.25   6.926    230
    618.31   6.904    215
    613.06   6.846    103
    611.13   6.824     87
    357.13   3.988     53
    354.38   3.957   1000

in CDCl3



liquid film





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