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533-58-4

2-碘苯酚(533-58-4)红外图谱(IR1)

产品名称:2-碘苯酚

CAS:533-58-4

分子式:C6H5IO

分子量: 220.01

InChI:InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H

InChIKey: KQDJTBPASNJQFQ-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1I

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    Mass

    MS-IW-6989          
    o-iodophenol
    C6H5IO              (Mass of molecular ion:    220)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          37.0       2.4
          38.0       5.4
          39.0      15.5
          50.0       1.9
          53.0       4.6
          61.0       1.8
          62.0       3.6
          63.0      10.7
          64.0       8.9
          65.0      38.1
          66.0       2.9
          74.0       1.2
          92.0       4.4
          93.0      21.5
          94.0       1.8
         110.0       2.7
         127.0       3.2
         191.0       1.1
         220.0     100.0
         221.0       6.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H5 I O 0.028 g : 0.5 ml CDCl3
    o-iodophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.650 B 7.234 C 6.992 D 6.670 E 5.34 J(A,B)=1.4HZ J(A,C)=0.2HZ J(A,D)=8.0HZ J(B,C)=8.2HZ J(B,D)=7.2HZ J(C,D)=1.5HZ

         Hz     ppm     Int.
    

       3066.04   7.672     33
       3062.01   7.662    891
       3060.67   7.659    945
       3058.35   7.653     59
       3054.08   7.642    927
       3052.73   7.639    968
       2900.02   7.257    567
       2898.44   7.253    606
       2896.85   7.249     73
       2896.61   7.248     73
       2895.51   7.246     72
       2892.70   7.239    729
       2891.85   7.236    837
       2891.11   7.235    768
       2890.26   7.232    764
       2887.33   7.225     47
       2886.72   7.224     50
       2884.52   7.218    771
       2882.93   7.214    694
       2802.86   7.014     39
       2802.37   7.013     41
       2798.71   7.003   1000
       2797.49   7.000    991
       2794.68   6.993     55
       2790.77   6.984    841
       2789.31   6.980    871
       2673.83   6.691    681
       2672.36   6.687    711
       2670.17   6.682     47
       2669.31   6.680     49
       2666.63   6.673    733
       2665.89   6.671    800
       2665.04   6.669    791
       2664.43   6.667    764
       2661.38   6.660     42
       2660.77   6.658     45
       2658.69   6.653    601
       2657.10   6.649    629
       2134.28   5.341    209
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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