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2-苯基苯甲酸

产品名称 2-苯基苯甲酸

CAS号947-84-2

分子式C13H10O2

分子量198.22

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  • Mass

    MS-NW-6274          
    2-biphenylcarboxylic acid
    C13H10O2            (Mass of molecular ion:    198)
    

       Source Temperature: 280 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          17.0       1.3
          18.0       5.2
          27.0       1.5
          38.0       1.2
          39.0       4.8
          44.0       2.1
          45.0       1.1
          50.0       4.3
          51.0       7.2
          52.0       1.7
          61.0       1.2
          62.0       2.5
          63.0       6.7
          64.0       1.4
          65.0       2.7
          70.0       1.5
          71.0       1.2
          74.0       4.5
          75.0       5.1
          75.5       2.5
          76.0      14.7
          76.5       2.9
          77.0       8.1
          78.0       1.6
          84.0       1.9
          86.0       1.6
          87.0       2.1
          89.0       1.8
          90.5       3.0
          91.0       1.7
          92.0       1.9
          93.0       1.3
          94.0       6.7
          98.0       1.9
          99.0       4.0
         101.0       2.0
         102.0       2.5
         104.0       1.9
         105.0       2.0
         106.0       1.7
         113.0       1.0
         115.0       6.1
         122.0       2.1
         123.0       8.1
         125.0       1.0
         126.0       5.0
         127.0       4.5
         128.0       1.2
         139.0       2.6
         141.0       6.1
         142.0       2.3
         150.0       4.3
         151.0      13.0
         152.0      42.5
         153.0      32.6
         154.0       7.6
         155.0       1.1
         168.0       1.1
         169.0       3.0
         170.0       1.5
         180.0       6.8
         181.0      78.5
         182.0      11.7
         183.0       1.2
         197.0      42.9
         198.0     100.0
         199.0      14.5
         200.0       1.6
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H10 O2 0.040 g : 0.5 ml CDCl3
    2-biphenylcarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.0 B 7.927 C 7.532 D 7.39 E 7.35 F 7.38 to 7.30

         Hz     ppm     Int.
    

       3172.63   7.939    241
       3171.16   7.935    262
       3164.75   7.919    259
       3163.47   7.916    270
       3018.77   7.554    138
       3017.30   7.550    147
       3013.46   7.541     34
       3011.26   7.535    313
       3009.79   7.532    322
       3003.56   7.516    226
       3002.10   7.512    213
       2962.72   7.414    203
       2961.44   7.411    234
       2958.87   7.404     44
       2955.21   7.395    311
       2953.93   7.392    351
       2952.28   7.388    129
       2950.81   7.384     88
       2949.71   7.381    157
       2947.52   7.376    217
       2946.23   7.373    259
       2945.13   7.370    253
       2942.94   7.364    280
       2941.10   7.360    532
       2939.82   7.356    460
       2937.81   7.351    326
       2936.53   7.348    617
       2935.79   7.346    644
       2933.41   7.340    550
       2932.13   7.337    634
       2928.10   7.327   1000
       2926.63   7.323    469
       2924.25   7.318    195
       2921.87   7.312    255
       2920.77   7.309    242
       2920.22   7.307    231
       2919.12   7.305    203
       2918.03   7.302    146
       2916.38   7.298     52
    


  • 1H NMR 89.56 MHz
    C13 H10 O2 0.044 g : 0.5 ml CDCl3
    2-biphenylcarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.49 B 7.925 C 7.51 D 7.38 E 7.35 F 7.34 C,D AND E WERE CONFIRMED BY LAOCN PROGRAM. 400MHZ : HSP-41-746

         Hz     ppm     Int.
    

        715.30   7.987     45
        713.59   7.968     80
        712.39   7.955     39
        708.80   7.915     39
        707.60   7.901     52
        706.32   7.887     79
        705.55   7.878     86
        676.59   7.555     81
        673.25   7.518     53
        669.75   7.479    140
        668.98   7.470     77
        667.70   7.456    117
        666.67   7.444    136
        661.55   7.387    148
        660.52   7.376    185
        659.92   7.369    182
        659.16   7.360    163
        656.93   7.336   1000
        654.71   7.311    126
        654.37   7.307    134
        653.69   7.299     90
        652.40   7.285     55
        651.55   7.276     62
    

in CDCl3



KBr disc



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