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网站主页CAS数据库列表 615-37-2更多图谱2-碘代甲苯(615-37-2)核磁图(13CNMR)

2-碘代甲苯

产品名称 2-碘代甲苯

CAS号615-37-2

分子式C7H7I

分子量218.04

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  • Mass

    MS-NW-5398          
    o-iodotoluene
    C7H7I               (Mass of molecular ion:    218)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       1.2
          37.0       1.6
          38.0       3.6
          39.0      14.7
          40.0       1.2
          41.0       2.7
          50.0       5.8
          51.0       6.0
          52.0       1.7
          61.0       2.1
          62.0       5.6
          63.0      13.3
          64.0       4.2
          65.0      31.9
          66.0       2.0
          74.0       1.6
          75.0       1.1
          86.0       1.3
          87.0       1.0
          89.0      12.6
          90.0      12.3
          91.0      96.0
          92.0       7.8
         127.0       3.5
         218.0     100.0
         219.0       7.9
    

400 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 399.65 MHz
    C7 H7 I 0.05 ml : 0.5 ml CDCl3
    o-iodotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.775 B 7.20 C 6.826 D 2.396

         Hz     ppm     Int.
    

       3111.57   7.786    148
       3103.88   7.767    173
       2879.88   7.207    156
       2878.78   7.204    189
       2877.44   7.200    194
       2874.27   7.192    371
       2873.41   7.190    414
       2869.87   7.181     35
       2736.21   6.847     53
       2735.72   6.846     53
       2732.54   6.838     71
       2730.83   6.834     46
       2729.86   6.831     47
       2727.78   6.826     77
       2727.17   6.824     76
       2724.37   6.817     77
       2723.27   6.815     52
       2722.29   6.812     45
       2719.24   6.805     48
       2718.75   6.803     47
        957.52   2.396   1000
    


  • 1H NMR 300 MHz
    C7 H7 I 4.9 mol% in CCl4
    o-iodotoluene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.147 D(B) 7.142 D(C) 6.777 D(D) 7.730 J(A,B) 7.60 J(A,C) 1.69 J(A,D) 0.44 J(B,C) 7.38 J(B,D) 1.18 J(C,D) 7.92 D(E) 2.41 YAMAMOTO,O. ET AL. ANAL.CHEM. 44, 1794 (1972) SMALL LONG RANGE COUPLINGS EXIST BETWEEN CH3(E) AND AROMATIC PROTONS

         Hz     ppm     Int.
    

       2323.77   7.746     58
       2323.03   7.743     93
       2322.29   7.741     59
       2315.11   7.717     86
       2148.99   7.163     12
       2146.07   7.154    183
       2145.33   7.151    191
       2142.01   7.140    122
       2141.32   7.138    159
       2140.13   7.134    102
       2041.43   6.805     47
       2037.27   6.791     52
       2036.53   6.788     47
       2033.51   6.778     49
       2032.37   6.775     45
       2029.60   6.765     41
       2028.36   6.761     42
       2024.45   6.748     38
        723.01   2.410   1000
    

in CDCl3



liquid film





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