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网站主页CAS数据库列表 14174-08-4更多图谱苯并-12-冠-4(14174-08-4)红外图谱(IR1)

苯并-12-冠-4

产品名称 苯并-12-冠-4

CAS号14174-08-4

分子式C12H16O4

分子量224.25

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  • Mass

    MS-NW-8204          
    benzo-12-crown-4
    C12H16O4            (Mass of molecular ion:    224)
    

       Source Temperature: 130 °C
       Sample Temperature:  90 °C
       Direct, 75 eV
    

          15.0       1.6
          26.0       1.3
          27.0       5.9
          28.0       6.4
          29.0       4.6
          31.0       2.9
          39.0       2.9
          41.0       5.3
          42.0       1.4
          43.0      21.1
          44.0       2.4
          45.0      33.0
          50.0       2.3
          51.0       4.3
          52.0      15.2
          53.0       3.1
          55.0       1.1
          59.0       1.0
          63.0       5.0
          64.0       5.9
          65.0       7.0
          66.0       1.3
          71.0       5.7
          73.0       5.5
          76.0       1.0
          77.0       5.4
          78.0       1.3
          79.0       2.8
          80.0      48.1
          81.0       8.0
          82.0       2.3
          89.0       2.1
          91.0       2.8
          92.0       2.6
          93.0       2.1
          94.0       1.0
          95.0       1.1
         107.0       2.5
         108.0      20.0
         109.0       6.0
         110.0      14.6
         111.0       1.0
         115.0       1.2
         121.0      62.1
         122.0       5.7
         135.0       3.8
         136.0     100.0
         137.0      10.5
         138.0       1.1
         154.0       1.3
         180.0       1.5
         224.0      69.9
         225.0       9.9
         226.0       1.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H16 O4 0.033 g : 0.5 ml CDCl3
    benzo-12-crown-4
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.98 B 6.96 C 4.177 D 3.857 E 3.798

         Hz     ppm     Int.
    

       2796.39   6.998     46
       2793.09   6.989     39
       2791.75   6.986     87
       2789.18   6.980     94
       2786.38   6.973    260
       2783.20   6.965    278
       2780.40   6.958     99
       2777.83   6.951     95
       2776.37   6.948     42
       2773.44   6.940     51
       1673.71   4.188    259
       1672.36   4.185     93
       1671.02   4.182    138
       1669.68   4.178    242
       1667.85   4.174    141
       1666.50   4.170    108
       1665.41   4.168    296
       1545.53   3.868    291
       1544.31   3.865    103
       1542.97   3.861    137
       1541.38   3.857    239
       1539.92   3.854    137
       1538.57   3.850     96
       1537.23   3.847    259
       1518.07   3.799   1000
    

in CDCl3



KBr disc



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