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网站主页CAS数据库列表 591-50-4更多图谱碘苯(591-50-4)核磁图(13CNMR)

碘苯

产品名称 碘苯

CAS号591-50-4

分子式C6H5I

分子量204.01

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  • Mass

    MS-NW-0996          
    iodobenzene
    C6H5I               (Mass of molecular ion:    204)
    

       Source Temperature: 250 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          27.0       1.4
          37.0       1.5
          38.0       1.5
          39.0       1.6
          49.0       1.4
          50.0      13.7
          51.0      26.5
          52.0       1.2
          73.0       1.2
          74.0       4.9
          75.0       2.7
          76.0       3.9
          77.0      88.4
          78.0       6.1
         102.0       2.2
         127.0       3.4
         204.0     100.0
         205.0       6.4
    

parameter in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C6 H5 I 5.0 mol% in CCl4
    iodobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.638 D(B) 7.033 D(C) 7.247 J(A,A') 1.90 J(A,B) 7.92 J(A,B') 0.44 J(A,C) 1.16 J(A',B) 0.44 J(A',B') 7.92 J(A',C) 1.16 J(B,B') 1.74 J(B,C) 7.47 J(B',C) 7.47 HAYAMIZU,K. ET AL. J.MOL.SPECTROSC. 25, 422 (1968)

         Hz     ppm     Int.
    

       2298.33   7.661     98
       2296.21   7.654    701
       2295.05   7.650    767
       2293.41   7.645    269
       2289.87   7.633    257
       2287.97   7.627    848
       2286.77   7.623    768
       2183.14   7.277    123
       2181.97   7.273    220
       2180.81   7.269    124
       2176.13   7.254    175
       2174.53   7.248    509
       2172.99   7.243    181
       2168.25   7.227    201
       2167.09   7.224    347
       2165.92   7.220    187
       2119.36   7.065    115
       2117.25   7.057    672
       2115.73   7.052    272
       2109.59   7.032   1000
       2103.65   7.012    192
       2102.01   7.007    481
       2100.01   7.000     96
    


  • 1H NMR 89.56 MHz
    C6 H5 I 10.7 mol% in CDCl3
    iodobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.05 B 7.667 C 7.30

         Hz     ppm     Int.
    

        694.44   7.754     71
        693.56   7.745     31
        691.75   7.724    669
        690.44   7.710    670
        689.69   7.701    273
        689.13   7.695    282
        685.81   7.658    222
        684.31   7.641    331
        683.63   7.634   1000
        682.19   7.618    776
        681.38   7.609    231
        662.25   7.395     75
        660.94   7.380    155
        659.56   7.365     97
        656.63   7.332    100
        653.63   7.299    429
        651.13   7.271    159
        647.88   7.235    330
        646.44   7.218    519
        644.94   7.202    244
        643.50   7.186     83
        641.25   7.161    139
        639.38   7.140    565
        638.63   7.131    708
        637.19   7.115    327
        635.13   7.092     30
        633.00   7.068    362
        632.63   7.064    306
        631.13   7.048    667
        630.63   7.042    545
        629.31   7.027    139
        628.56   7.019     92
        626.00   6.990    138
        624.38   6.972    275
        622.75   6.954    171
        621.88   6.944     66
    

in CDCl3



liquid film





REACTION WITH NA AT 77K

GAMMA-IRRAD., ADSORBED ON SILICA-GEL, 77K

PHOTOLYSIS IN MTHF, 77K