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网站主页CAS数据库列表 17768-28-4更多图谱1,3-金刚烷二乙酸(17768-28-4)核磁图(13CNMR)

1,3-金刚烷二乙酸

产品名称 1,3-金刚烷二乙酸

CAS号17768-28-4

分子式C14H20O4

分子量252.31

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  • Mass

    MS-NW-6342          
    1,3-adamantanediacetic acid
    C14H20O4            (Mass of molecular ion:    252)
    

       Source Temperature: 170 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       1.0
          27.0      10.0
          28.0       1.6
          29.0       8.5
          31.0       2.2
          39.0      18.6
          40.0       3.7
          41.0      24.1
          42.0       4.0
          43.0       5.9
          45.0       9.6
          50.0       1.0
          51.0       4.1
          52.0       3.1
          53.0      12.0
          54.0       2.0
          55.0      10.1
          56.0       1.4
          57.0       1.9
          59.0       1.1
          60.0       9.1
          63.0       2.2
          65.0       8.8
          66.0       2.8
          67.0       8.3
          68.0       1.0
          69.0       1.8
          71.0       1.6
          77.0      20.7
          78.0       5.7
          79.0      21.7
          80.0       3.2
          81.0       4.7
          82.0       1.2
          83.0       2.0
          91.0      62.2
          92.0      16.1
          93.0      17.8
          94.0       2.0
          95.0       3.4
          96.0       1.2
         103.0       3.8
         104.0       9.0
         105.0      30.5
         106.0       6.0
         107.0       7.7
         108.0       1.2
         109.0       2.3
         115.0       3.5
         116.0       2.0
         117.0       6.3
         118.0       2.0
         119.0       8.5
         120.0       1.1
         121.0       2.7
         125.0       1.0
         128.0       1.3
         129.0       2.0
         130.0       1.3
         131.0       7.5
         132.0       2.3
         133.0      50.1
         134.0       5.3
         135.0       1.3
         136.0       1.1
         137.0       4.7
         145.0       3.4
         146.0       4.3
         147.0      14.4
         148.0       3.0
         149.0       5.3
         150.0       3.8
         151.0       4.8
         152.0       1.1
         153.0       2.4
         162.0       4.7
         163.0       1.7
         175.0       8.5
         176.0       1.4
         190.0       2.5
         191.0       1.0
         193.0     100.0
         194.0      13.7
         195.0       1.5
         206.0      46.8
         207.0       6.6
         210.0       2.0
         234.0      26.6
         235.0       4.5
         252.0      10.8
         253.0       1.5
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C14 H20 O4 0.040 g : 0.5 ml DMSO-d6
    1,3-adamantanediacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.9 B 2.0 C 1.971 D 1.54 E *1 1.51 F *1 1.478 G 1.438

         Hz     ppm     Int.
    

       4755.55  11.900     31
        794.76   1.989    165
        787.80   1.972   1000
        617.45   1.545    234
        614.89   1.539    227
        607.93   1.522    333
        594.56   1.488    318
        582.29   1.457    138
        574.78   1.439    304
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder