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Chlorobenzene

Product Name Chlorobenzene

CAS108-90-7

MFC6H5Cl

MW112.56

¹³CNMR

Mass

MS-NW-5495          
chlorobenzene
C6H5Cl              (Mass of molecular ion:    112)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       1.2
      37.0       2.5
      38.0       6.2
      39.0       1.7
      49.0       1.9
      50.0      12.3
      51.0      16.0
      52.0       1.5
      56.0       3.3
      57.0       1.0
      73.0       2.3
      74.0       5.2
      75.0       5.3
      76.0       4.3
      77.0      52.0
      78.0       3.5
     112.0     100.0
     113.0       6.8
     114.0      31.8
     115.0       2.2

90 MHz in CDCl3

parameter in CDCl3

¹H NMR	89.56 MHz
C₆ H₅ Cl	0.04 ml : 0.5 ml CDCl₃
chlorobenzene

    Assign.     Shift(ppm)

      A          7.43 to 7.14

     Hz     ppm     Int.

    662.19   7.394     45
    659.81   7.368     83
    659.19   7.361    119
    658.44   7.352     91
    657.19   7.338    111
    656.13   7.327    139
    654.94   7.313    334
    653.00   7.292    851
    652.50   7.286    568
    651.88   7.279    723
    651.31   7.273   1000
    650.31   7.262    452
    649.25   7.250    180
    648.25   7.239    366
    646.38   7.218    191
    645.75   7.211    113
    645.31   7.206     87
    643.94   7.191    115
    643.25   7.183    144
    642.31   7.172     61
    641.44   7.163     33

¹H NMR	300 MHz
C₆ H₅ Cl	5.0 mol% in CCl₄
chlorobenzene

    Parameter     ppm  Hz

      D(A)         7.279
      D(B)         7.225
      D(C)         7.162
       J(A,A')         2.27
       J(A,B)          8.05
       J(A,B')         0.44
       J(A,C)          1.17
       J(A',B)         0.44
       J(A',B')        8.05
       J(A',C)         1.17
       J(B,B')         1.70
       J(B,C)          7.46
       J(B',C)         7.46
     
     HAYAMIZU,K. ET AL. J.MOL.SPECTROSC. 25, 422 (1968)

     Hz     ppm     Int.

   2189.82   7.299    299
   2188.10   7.294    500
   2185.79   7.286    185
   2182.09   7.274    503
   2181.08   7.270    787
   2180.42   7.268    771
   2179.78   7.266    970
   2177.21   7.257    196
   2175.76   7.253    377
   2174.35   7.248    517
   2172.04   7.240    163
   2170.13   7.234    198
   2168.36   7.228    653
   2167.57   7.225   1000
   2165.81   7.219    340
   2161.58   7.205    271
   2160.07   7.200    474
   2159.22   7.197    292
   2157.23   7.191     85
   2155.70   7.186    288
   2154.00   7.180    472
   2152.39   7.175    217
   2150.01   7.167    159
   2147.09   7.157    380
   2143.95   7.146     80
   2141.64   7.139     75
   2140.28   7.134    111
   2138.66   7.129     60

in CDCl3

CCl4 solution

liquid film

4880 A,100M,liquid

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