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89-72-5

邻仲丁基苯酚(89-72-5)核磁图(1HNMR)

产品名称:邻仲丁基苯酚

CAS:89-72-5

分子式:C10H14O

分子量: 150.22

InChI:InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3

InChIKey: NGFPWHGISWUQOI-UHFFFAOYSA-N

Smiles:C1(O)=CC=CC=C1C(C)CC

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    Mass

    MS-NW-0897          
    o-sec-butylphenol
    C10H14O             (Mass of molecular ion:    150)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.0
          27.0       3.1
          28.0       1.1
          29.0       1.8
          39.0       5.6
          41.0       2.8
          50.0       1.1
          51.0       4.1
          52.0       1.1
          53.0       1.5
          55.0       1.3
          63.0       2.1
          65.0       3.9
          66.0       1.1
          77.0      14.7
          78.0       2.1
          79.0       1.6
          91.0       9.4
          92.0       1.2
          93.0       4.3
          94.0       1.2
         102.0       1.3
         103.0      16.7
         104.0       1.5
         107.0      11.2
         115.0       2.4
         120.0       1.1
         121.0     100.0
         122.0       9.0
         135.0       2.1
         150.0      19.9
         151.0       2.2
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H14 O 11.6 mg : 0.5 ml CDCl3
    o-sec-butylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.155 B 7.060 C 6.913 D 6.747 E 4.77 F 2.962 G 1.66 J 1.60 K 1.235 L 0.871

         Hz     ppm     Int.
    

       2864.38   7.168     92
       2862.67   7.163    100
       2856.81   7.149    109
       2855.10   7.145    118
       2830.93   7.084     73
       2829.22   7.080     72
       2823.49   7.065    115
       2823.00   7.064    103
       2821.78   7.061    106
       2821.29   7.060     95
       2815.55   7.046    109
       2813.84   7.041     97
       2770.26   6.932     75
       2769.78   6.931     78
       2768.92   6.929     83
       2768.55   6.928     75
       2762.57   6.913    121
       2761.35   6.910    121
       2755.25   6.895     57
       2754.88   6.894     54
       2754.03   6.892     56
       2753.54   6.890     51
       2701.05   6.759    136
       2699.83   6.756    137
       2692.99   6.739    122
       2691.89   6.736    120
       1904.30   4.765    121
       1194.70   2.990     44
       1187.74   2.972     88
       1180.66   2.955     92
       1173.71   2.937     48
        681.52   1.706     48
        675.54   1.691     57
        674.19   1.687     86
        668.09   1.672    102
        666.75   1.669     58
        660.77   1.654    141
        656.98   1.644     30
        653.32   1.635    101
        649.66   1.626     80
        645.87   1.617     33
        642.58   1.608    109
        636.11   1.592     54
        635.38   1.590     87
        629.15   1.575     50
        628.05   1.572     34
        621.83   1.556     36
        496.95   1.244   1000
        494.75   1.238     49
        489.99   1.227    989
        487.79   1.221     48
        355.10   0.889    377
        347.66   0.870    774
        345.21   0.864     37
        340.21   0.852    344
    

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    1H NMR 89.56 MHz
    C10 H14 O 10.3 mol% in CDCl3
    o-sec-butylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 0.85 B 1.59 C 1.21 D 2.958 E 5.20 F 6.70 G 6.88 J 7.01 K 7.12 400MHZ : HSP-40-310

         Hz     ppm     Int.
    

        644.56   7.197     78
        642.25   7.172     77
        637.75   7.121    128
        635.31   7.094    204
        631.19   7.048    186
        628.88   7.022    133
        624.13   6.969    302
        621.44   6.939    337
        616.19   6.881    113
        614.75   6.865    118
        614.44   6.861    119
        609.19   6.803     43
        608.81   6.798     42
        604.19   6.747    197
        602.06   6.723    219
        597.06   6.667     88
        596.31   6.659     95
        595.06   6.645    103
        466.06   5.204    148
        276.88   3.092     50
        269.75   3.012    109
        262.75   2.934    121
        255.94   2.858     69
        153.69   1.717     59
        152.56   1.704     94
        150.63   1.682    111
        145.50   1.625    115
        144.81   1.617    160
        143.50   1.603    179
        139.38   1.557     49
        137.75   1.539    175
        136.50   1.525    130
        130.56   1.458     71
        130.00   1.452     73
        111.88   1.250   1000
        105.00   1.173    916
        102.94   1.150     94
         82.88   0.926    348
         75.88   0.848    602
         68.31   0.763    212
         67.38   0.753    131
    

in CDCl3

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CCl4 solution

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liquid film

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