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Fluorobenzene

Product Name Fluorobenzene

CAS462-06-6

MFC6H5F

MW96.1

¹³CNMR

Mass

MS-NW-0529          
fluorobenzene
C6H5F               (Mass of molecular ion:     96)

   Source Temperature: 230 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      37.0       1.3
      38.0       1.7
      39.0       3.2
      48.0       1.7
      50.0       7.3
      51.0       3.6
      57.0       2.8
      63.0       2.4
      68.0       1.7
      69.0       2.5
      70.0      17.3
      74.0       2.3
      75.0       5.0
      76.0       1.8
      77.0       1.2
      94.0       1.6
      95.0       6.5
      96.0     100.0
      97.0       6.6

90 MHz in CDCl3

parameter in CCl4

¹H NMR	89.56 MHz
C₆ H₅ F	0.04 ml : 0.5 ml CDCl₃
fluorobenzene

    Assign.     Shift(ppm)

      A             7.31
      B             7.13
      C             7.03
     
     A,B AND C WERE CONFIRMED BY LAOCN PROGRAM.
     HPM-02-295 IN CCL4

     Hz     ppm     Int.

    667.69   7.456    125
    666.94   7.447    131
    666.31   7.440    148
    664.63   7.422     97
    663.94   7.414     99
    663.56   7.410     91
    662.31   7.396    150
    660.19   7.372    421
    659.06   7.359    349
    658.31   7.351    386
    657.19   7.338    304
    655.38   7.318    303
    654.31   7.306    512
    653.94   7.302    513
    651.81   7.278    785
    651.00   7.269    835
    648.69   7.244    240
    647.88   7.235    324
    646.25   7.216    976
    645.44   7.207    562
    643.94   7.191    402
    642.88   7.179    550
    642.00   7.169    750
    640.69   7.154    599
    638.94   7.135    812
    638.00   7.124   1000
    636.06   7.103    702
    635.31   7.094    733
    630.88   7.045    719
    630.13   7.036    888
    628.44   7.017    974
    625.94   6.990    237
    623.44   6.962    266
    622.25   6.948    231
    621.50   6.940    419
    620.06   6.924    345

¹H NMR	300 MHz
C₆ H₅ F	10 wt% in CCl₄
fluorobenzene

    Parameter     ppm  Hz

      D(A)         6.973
      D(B)         7.241
      D(C)         7.034
       J(A,A')         2.74
       J(A,B)          8.36
       J(A,B')         0.43
       J(A,C)          1.07
       J(A,X)          8.91
       J(A',B)         0.43
       J(A',B')        8.36
       J(A',C)         1.07
       J(A',X)         8.91
       J(B,B')         1.82
       J(B,C)          7.47
       J(B,X)          5.69
       J(B',C)         7.47
       J(B',X)         5.69
       J(C,X)          0.22
     
     CASTELLANO,S. ET AL. TETRAHEDRON LETT. 46, 4635 (1967)

     Hz     ppm     Int.

   2186.05   7.287     61
   2183.68   7.279    335
   2181.46   7.272    170
   2178.39   7.261    394
   2176.27   7.254    785
   2175.19   7.251    589
   2172.61   7.242    143
   2170.65   7.235    744
   2169.95   7.233    768
   2167.72   7.226    734
   2164.98   7.217    116
   2162.49   7.208    506
   2160.89   7.203    292
   2118.41   7.061    295
   2117.34   7.058    557
   2116.27   7.054    351
   2111.46   7.038    214
   2109.78   7.033   1000
   2107.36   7.025    166
   2103.54   7.012    323
   2102.50   7.008    351
   2101.09   7.004    914
   2099.92   7.000    829
   2097.68   6.992    222
   2093.36   6.978    831
   2092.30   6.974    806
   2091.13   6.970    963
   2088.30   6.961    250
   2085.26   6.951    500
   2082.45   6.941    818
   2080.18   6.934    114

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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