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网站主页CAS数据库列表 626-02-8更多图谱3-碘苯酚(626-02-8)核磁图(1HNMR)

3-碘苯酚

产品名称 3-碘苯酚

CAS号626-02-8

分子式C6H5IO

分子量220.01

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  • Mass

    MS-NW-8706          
    m-iodophenol
    C6H5IO              (Mass of molecular ion:    220)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.1
          37.0       2.3
          38.0       5.8
          39.0      20.3
          50.0       2.7
          51.0       1.1
          53.0       4.2
          61.0       2.0
          62.0       3.9
          63.0       9.9
          64.0       6.9
          65.0      39.6
          66.0       3.1
          74.0       1.5
          92.0       3.7
          93.0      52.3
          94.0       3.7
         110.0       4.4
         127.0       3.2
         128.0       1.2
         191.0       1.2
         220.0     100.0
         221.0       6.6
    

parameter in CDCl3

400 MHz in CDCl3


  • 1H NMR 300 MHz
    C6 H5 I O 0.044 g : 0.5 ml CDCl3
    m-iodophenol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.266 D(B) 7.210 D(C) 6.948 D(D) 6.793 J(A,B) 1.47 J(A,C) 7.96 J(A,D) 1.00 J(B,C) 0.30 J(B,D) 2.50 J(C,D) 8.17 D(E) 5.01

         Hz     ppm     Int.
    

       2185.19   7.284    223
       2183.87   7.280    345
       2182.71   7.276    258
       2177.29   7.258    257
       2175.96   7.253    411
       2174.80   7.249    310
       2164.91   7.216    428
       2163.43   7.211    421
       2162.51   7.208    493
       2161.07   7.204    380
       2092.62   6.975    330
       2084.57   6.949    692
       2076.58   6.922    396
       2043.37   6.811    300
       2042.34   6.808    312
       2040.89   6.803    302
       2039.86   6.800    288
       2035.21   6.784    216
       2034.18   6.781    218
       2032.75   6.776    216
       2031.70   6.772    201
       1502.99   5.010   1000
    


  • 1H NMR 399.65 MHz
    C6 H5 I O 0.042 g : 0.5 ml CDCl3
    m-iodophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.272 B 7.213 C 6.955 D 6.802

         Hz     ppm     Int.
    

       2911.87   7.287    415
       2911.01   7.284    490
       2910.40   7.283    519
       2909.42   7.280    478
       2904.05   7.267    461
       2903.20   7.265    543
       2902.59   7.263    603
       2901.61   7.261    542
       2884.89   7.219    677
       2883.30   7.215    692
       2882.45   7.213    767
       2880.86   7.209    617
       2787.96   6.977    582
       2779.91   6.956   1000
       2771.85   6.936    665
       2723.63   6.816    457
       2722.78   6.813    503
       2721.19   6.809    477
       2720.34   6.807    466
       2715.45   6.795    373
       2714.60   6.793    384
       2713.01   6.789    380
       2712.04   6.787    353
    

in CDCl3



KBr disc



nujol mull