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网站主页CAS数据库列表 39269-10-8更多图谱1,3-金刚烷二甲酸(39269-10-8)Raman光谱

1,3-金刚烷二甲酸

产品名称 1,3-金刚烷二甲酸

CAS号39269-10-8

分子式C12H16O4

分子量224.25

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  • Mass

    MS-IW-8179          
    1,3-adamantanedicarboxylic acid
    C12H16O4            (Mass of molecular ion:    224)
    

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

          18.0       4.1
          27.0       1.0
          28.0       4.8
          39.0       2.4
          41.0       3.3
          43.0       1.1
          44.0       1.0
          51.0       1.1
          53.0       1.3
          55.0       2.6
          56.0       1.7
          65.0       2.0
          67.0       1.6
          77.0       4.4
          78.0       1.6
          79.0       7.4
          80.0       1.1
          81.0       1.4
          86.0       1.1
          91.0      10.3
          92.0       3.6
          93.0       7.8
         105.0       4.7
         106.0       1.0
         107.0       2.4
         115.0       2.1
         117.0       3.9
         119.0       2.0
         123.0       5.0
         131.0       1.8
         132.0       2.1
         133.0      19.2
         134.0       3.6
         135.0       4.8
         136.0       1.2
         137.0       1.7
         151.0       2.4
         160.0       1.4
         161.0      14.7
         162.0       1.9
         178.0       2.7
         179.0     100.0
         180.0      12.8
         181.0       1.2
         224.0      10.6
         225.0       1.5
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C12 H16 O4 0.040 g : 0.5 ml DMSO-d6
    1,3-adamantanedicarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.1 B 2.061 C 1.850 D *1 1.77 E *1 1.713 F 1.616

         Hz     ppm     Int.
    

       4844.57  12.123     47
        823.88   2.062    461
        739.63   1.851   1000
        727.35   1.820     39
        725.52   1.816     36
        724.79   1.814     36
        724.42   1.813     36
        724.06   1.812     36
        715.45   1.791    463
        703.18   1.760    980
        688.34   1.723    975
        676.43   1.693    440
        670.21   1.677     91
        661.41   1.655     41
        659.95   1.652     40
        655.37   1.640     51
        655.00   1.639     52
        646.21   1.617    565
    

in DMSO-d6



KBr disc



nujol mull





TI(III) COMPLEX, IN TOLUENE/BENZENE, 77K

TI(III) COMPLEX, IN TOLUENE/BENZENE, RT