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网站主页CAS数据库列表 83-12-5更多图谱苯茚二酮(83-12-5)核磁图(13CNMR)

苯茚二酮

产品名称 苯茚二酮

CAS号83-12-5

分子式C15H10O2

分子量222.24

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  • Mass

    MS-NW-7232          
    2-phenyl-1,3-indandione
    C15H10O2            (Mass of molecular ion:    222)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          39.0       2.2
          50.0       4.2
          51.0       2.5
          62.0       1.5
          63.0       3.9
          64.0       1.3
          69.5       1.3
          74.0       1.6
          75.0       2.1
          76.0      10.9
          77.0       3.1
          81.5       1.1
          82.0       4.2
          82.5       3.9
          83.0       1.7
          89.0       6.4
          90.0       6.5
         104.0       6.8
         105.0       3.3
         111.0       2.8
         115.0       1.3
         118.0       1.0
         139.0       2.4
         163.0       2.7
         164.0       3.4
         165.0      37.8
         166.0       8.3
         177.0       1.0
         193.0       4.2
         194.0       9.9
         195.0       1.5
         221.0       2.9
         222.0     100.0
         223.0      16.5
         224.0       1.7
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C15 H10 O2 0.067 g : 0.5 ml CDCl3
    2-phenyl-1,3-indandione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.043 B 7.872 C 7.328 D 7.291 E 7.182 F 4.263 90MHZ : HSP-04-956

         Hz     ppm     Int.
    

       3224.12   8.068     89
       3222.66   8.064    118
       3219.24   8.056    819
       3216.06   8.048    764
       3213.50   8.041    632
       3210.45   8.034   1000
       3206.91   8.025    108
       3205.57   8.021     82
       3154.66   7.894    122
       3153.44   7.891    147
       3149.90   7.882    965
       3146.73   7.874    622
       3144.17   7.868    716
       3141.11   7.860    780
       3138.79   7.854     36
       3137.70   7.852     77
       3136.11   7.848     53
       2939.82   7.356    159
       2938.11   7.352    224
       2936.28   7.348    139
       2933.72   7.341    235
       2931.15   7.335    654
       2929.32   7.330    341
       2925.42   7.320    314
       2923.95   7.317    687
       2923.22   7.315    479
       2921.39   7.310    151
       2920.04   7.307    230
       2918.33   7.303    436
       2916.87   7.299    278
       2914.06   7.292    132
       2911.38   7.285    341
       2907.84   7.276     87
       2905.40   7.270     78
       2903.93   7.267    115
       2902.59   7.263     70
       2874.39   7.193    508
       2872.80   7.189    603
       2870.61   7.183    181
       2867.92   7.177    238
       2867.43   7.175    270
       2866.21   7.172    447
       2865.84   7.171    472
       2864.87   7.169    388
       2862.18   7.162     57
       1703.74   4.264    931
    


  • 1H NMR 89.56 MHz
    C15 H10 O2 0.067 g : 0.5 ml CDCl3
    2-phenyl-1,3-indandione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.023 B 7.877 C 7.40 to 7.100 D 4.258 400MHZ : HSP-42-322

         Hz     ppm     Int.
    

        728.31   8.133     49
        725.44   8.101    388
        723.94   8.084     88
        722.44   8.067    318
        721.94   8.061    334
        720.31   8.043    344
        719.00   8.029    467
        716.63   8.002    753
        716.25   7.998    805
        713.13   7.963    277
        712.56   7.957    268
        711.88   7.949    266
        711.31   7.943    283
        708.13   7.907    765
        707.75   7.903    754
        705.38   7.877    425
        704.06   7.862    363
        702.50   7.844    355
        702.00   7.839    337
        698.94   7.805    402
        696.06   7.772     77
        695.25   7.763     56
        694.81   7.759     62
        663.50   7.409     78
        662.94   7.403     62
        662.13   7.394     71
        660.81   7.379     93
        659.69   7.366    308
        658.06   7.348    334
        657.13   7.338    266
        654.75   7.311    649
        653.81   7.301    663
        652.56   7.287   1000
        652.13   7.282    959
        649.88   7.257    706
        648.81   7.245    493
        646.63   7.221    669
        643.56   7.186    361
        642.50   7.174    377
        641.13   7.159    222
        638.81   7.133    282
        636.56   7.108    204
        634.69   7.087     70
        381.44   4.260    878
    

in CDCl3



KBr disc



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