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网站主页CAS数据库列表 104-91-6更多图谱4-亚硝基苯酚(104-91-6)红外图谱(IR1)

4-亚硝基苯酚

产品名称 4-亚硝基苯酚

CAS号104-91-6

分子式C6H5NO2

分子量123.11

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  • Mass

    MS-NW-1382          
    p-nitrosophenol
    C6H5NO2             (Mass of molecular ion:    123)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.4
          25.0       1.4
          26.0      10.0
          27.0       3.2
          28.0       3.9
          29.0       1.4
          30.0       1.7
          37.0       3.4
          38.0       6.9
          39.0      24.1
          40.0       2.6
          41.0       2.2
          44.0       1.0
          49.0       1.1
          50.0       5.1
          51.0      12.4
          52.0      23.7
          53.0       7.6
          54.0       5.4
          55.0       1.3
          61.0       2.4
          62.0       4.0
          63.0       8.9
          64.0       5.6
          65.0      46.7
          66.0       3.8
          68.0       4.3
          69.0       1.7
          74.0       1.0
          75.0       1.3
          76.0       1.1
          77.0       1.2
          78.0       7.7
          79.0       1.8
          80.0      14.0
          81.0       1.4
          92.0       1.3
          93.0      13.8
          94.0       1.6
          95.0      14.2
          96.0       1.0
         106.0       1.2
         107.0       4.4
         109.0       1.5
         123.0     100.0
         124.0       7.1
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6

parameter in dioxane


  • 1H NMR 399.65 MHz
    C6 H5 N O2 0.037 g : 0.5 ml DMSO-d6
    p-nitrosophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 7.66 C 6.631 90MHZ:HSP-03-885

         Hz     ppm     Int.
    

       3066.15   7.673    598
       3059.10   7.655    618
       2667.20   6.674     49
       2666.78   6.673     51
       2666.35   6.672     49
       2663.79   6.666     86
       2655.02   6.644   1000
       2645.62   6.620    986
       2636.86   6.598    135
       2636.01   6.596    124
       2634.51   6.593     97
       2633.66   6.590     92
       2633.02   6.589     85
       2632.16   6.587     75
       2631.73   6.586     75
       2630.88   6.583     68
       2630.45   6.582     63
       2629.81   6.581     61
       2628.96   6.579     53
       2627.67   6.575     50
    


  • 1H NMR 89.56 MHz
    C6 H5 N O2 0.040 g : 0.5 ml DMSO-d6
    p-nitrosophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.654 B 6.630

         Hz     ppm     Int.
    

        694.00   7.749     76
        693.00   7.738     44
        691.13   7.717    666
        689.19   7.696    198
        686.25   7.663     32
        685.69   7.657     27
        683.19   7.629    203
        681.25   7.607    831
        678.38   7.575    121
        600.94   6.710     69
        598.38   6.682   1000
        593.75   6.630     32
        592.63   6.618     27
        592.13   6.612     28
        588.56   6.572    817
        586.00   6.544     68
    


  • 1H NMR 300 MHz
    C6 H5 N O2 5-10 wt% in dioxane
    p-nitrosophenol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.444 D(B) 7.725 D(C) 7.215 D(D) 6.431 J(A,B) 10.18 J(A,C) 0.02 J(A,D) 1.76 J(B,C) 2.55 J(B,D) 0.06 J(C,D) 10.15 D(E) 11.68 NORRIS,R.K. & STERNHELL,S. AUST.J.CHEM. 22, 935 (1969) OH(E) IS BROAD : TEMPERATURE AND CONCENTRATION DEPENDENT.

         Hz     ppm     Int.
    

       3504.01  11.680   1000
       2324.12   7.747    210
       2321.38   7.738    236
       2317.86   7.726     21
       2313.66   7.712    215
       2311.31   7.704    249
       2170.90   7.236    239
       2168.55   7.228    200
       2164.40   7.215     21
       2160.88   7.203    260
       2158.14   7.194    217
       1939.21   6.464    201
       1937.50   6.458    333
       1935.11   6.450    280
       1933.44   6.445    244
       1928.90   6.430    225
       1927.28   6.424    253
       1924.89   6.416    304
       1923.18   6.411    183
    

in DMSO-d6



KBr disc



nujol mull