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1-金刚烷甲酸

产品名称 1-金刚烷甲酸

CAS号828-51-3

分子式C11H16O2

分子量180.24

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  • Mass

    MS-NW-2371          
    tricyclo(3.3.1.1(3,7))decane-1-carboxylic acid
    C11H16O2            (Mass of molecular ion:    180)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       4.9
          27.0       2.5
          28.0       1.1
          29.0       1.6
          39.0       4.7
          41.0       6.0
          51.0       1.3
          53.0       2.6
          55.0       3.7
          56.0       1.4
          65.0       1.8
          66.0       1.0
          67.0       6.7
          69.0       1.7
          77.0       5.5
          78.0       2.5
          79.0      19.7
          80.0       2.9
          81.0       5.2
          91.0       5.1
          92.0       2.6
          93.0      16.8
          94.0       2.3
          95.0       2.2
         105.0       1.2
         107.0       5.6
         134.0       1.1
         135.0     100.0
         136.0      14.0
         180.0       3.2
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C11 H16 O2 0.043 g : 0.5 ml CDCl3
    tricyclo(3.3.1.1(3,7))decane-1-carboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 2.026 C 1.911 D 1.72 J(B,C)=2.9HZ.

         Hz     ppm     Int.
    

        809.60   2.026    295
        783.04   1.960     22
        765.27   1.915   1000
        762.34   1.908    833
        711.05   1.780     21
        702.08   1.757     96
        699.51   1.751     82
        688.89   1.724    445
        687.42   1.721    452
        685.04   1.715    414
        675.33   1.690     47
        674.42   1.688     47
        672.59   1.683     67
        672.04   1.682     67
        669.11   1.675     37
    


  • 1H NMR 89.56 MHz
    C11 H16 O2 0.051 g : 0.5 ml CDCl3
    tricyclo[3.3.1.1(3,7)]decane-1-carboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.62 B 2.01 C 1.92 D 1.72

         Hz     ppm     Int.
    

       1041.81  11.633     49
       1040.70  11.621     57
       1040.14  11.614     58
       1039.35  11.606     56
       1038.95  11.601     55
       1036.18  11.570     30
        188.60   2.106     44
        181.46   2.027    218
        180.11   2.012    206
        179.32   2.003    211
        178.77   1.997    210
        176.70   1.973    169
        172.66   1.928   1000
        170.20   1.901    621
        164.40   1.836     35
        163.93   1.831     31
        156.63   1.749    485
        154.01   1.720    734
    

in CDCl3



CCl4 solution



KBr disc



nujol mull





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

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