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Benzotrichloride

CAS98-07-7

MFC7H5Cl3

MW195.47

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  • Mass

    MS-NW-8355          
    benzylidyne trichloride
    C7H5Cl3             (Mass of molecular ion:    194)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          36.0       3.3
          37.0       1.5
          38.0       2.2
          39.0       5.0
          43.0       2.0
          44.0       3.1
          49.0       1.1
          50.0       3.9
          51.0       3.2
          61.0       3.9
          61.5       3.3
          62.0       7.5
          62.5       1.1
          63.0      10.0
          72.0       1.1
          73.0       3.6
          74.0       1.2
          75.0       1.6
          79.5       3.6
          80.5       2.3
          85.0       1.5
          86.0       1.8
          87.0       2.0
          89.0      18.2
          90.0       1.4
          97.0       2.3
          99.0       2.8
         123.0       8.6
         124.0       7.0
         125.0       4.0
         126.0       2.3
         133.0       2.1
         135.0       1.4
         159.0     100.0
         160.0       7.9
         161.0      64.2
         162.0       5.0
         163.0      10.3
         194.0       2.2
         196.0       2.1
    

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C7 H5 Cl3 0.05 ml : 0.5 ml CDCl3
    benzylidyne trichloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.901 B 7.37

         Hz     ppm     Int.
    

        713.19   7.964    405
        712.13   7.952    251
        710.94   7.939    238
        709.50   7.923    479
        707.88   7.904    330
        705.75   7.881    449
        704.75   7.870    332
        703.38   7.854    592
        701.13   7.829    120
        667.69   7.456    125
        667.25   7.451    129
        666.06   7.438    283
        664.94   7.425    258
        663.31   7.407    756
        662.69   7.400    609
        661.13   7.382    443
        659.56   7.365    747
        658.00   7.348    444
        656.63   7.332   1000
        655.69   7.322    262
        655.31   7.317    254
        652.63   7.288     97
    


  • 1H NMR 300 MHz
    C7 H5 Cl3 5.0 mol% in CCl4
    benzylidyne trichloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.893 D(B) 7.373 D(C) 7.348 J(A,A') 2.39 J(A,B) 8.13 J(A,B') 0.53 J(A,C) 1.14 J(A',B) 0.53 J(A',B') 8.13 J(A',C) 1.14 J(B,B') 1.44 J(B,C) 7.45 J(B',C) 7.45 HAYAMIZU,K. ET AL. J.MOL.SPECTROSC. 25, 422 (1968)

         Hz     ppm     Int.
    

       2379.26   7.931     18
       2374.52   7.915     96
       2372.86   7.910    600
       2370.48   7.902    427
       2369.47   7.898    249
       2368.62   7.895    254
       2367.69   7.892    227
       2366.60   7.889    268
       2364.64   7.882    573
       2363.13   7.877    593
       2359.58   7.865     60
       2357.91   7.860     18
       2356.63   7.855     18
       2356.08   7.854     18
       2225.85   7.419     11
       2222.66   7.409    110
       2220.89   7.403     64
       2218.72   7.396    167
       2216.90   7.390    127
       2214.10   7.380    513
       2213.50   7.378    623
       2211.85   7.373    345
       2210.11   7.367    354
       2208.44   7.361    626
       2207.47   7.358    894
       2206.17   7.354   1000
       2202.73   7.342    213
       2200.99   7.337    125
       2196.35   7.321     35
       2194.68   7.316     33
       2193.23   7.311     13
    

in CDCl3



CCl4 solution



liquid film



4880 A,100M,liquid