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3-环己基-1,1-二甲醇

产品名称 3-环己基-1,1-二甲醇

CAS号2160-94-3

分子式C8H14O2

分子量142.2


  • Mass

    MS-IW-0860          
    3-cyclohexene-1,1-dimethanol
    C8H14O2             (Mass of molecular ion:    142)
    

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

          27.0       3.7
          28.0       1.5
          29.0       4.3
          31.0       6.3
          39.0       7.7
          40.0       1.3
          41.0      14.2
          42.0       1.9
          43.0       6.4
          51.0       2.1
          52.0       1.0
          53.0       7.0
          54.0       9.5
          55.0      17.5
          56.0       1.5
          57.0      28.5
          58.0       1.2
          65.0       4.4
          66.0       5.8
          67.0      28.6
          68.0      31.1
          69.0       6.6
          70.0       5.1
          77.0      37.6
          78.0     100.0
          79.0      59.6
          80.0      15.3
          81.0      24.3
          82.0       4.6
          83.0       5.0
          87.0       1.0
          91.0      82.8
          92.0      11.8
          93.0      90.3
          94.0      29.0
          95.0      23.8
          96.0       8.0
         105.0       6.0
         106.0      85.6
         107.0       9.3
         109.0       7.9
         110.0       1.8
         111.0       6.3
         123.0       1.0
         124.0      48.2
         125.0       4.9
    

400 MHz at 59.0C


  • 1H NMR 399.65 MHz
    C8 H14 O2 0.049 g : 0.5 ml CDCl3 at 60C
    3-cyclohexene-1,1-dimethanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.675 B 5.596 C 3.579 D 2.98 E 2.023 F 1.814 G 1.560 ASSIGNED BY H-H COSY

         Hz     ppm     Int.
    

       2276.73   5.697     30
       2274.78   5.692     47
       2268.19   5.676     43
       2266.72   5.672     50
       2264.65   5.667     84
       2262.70   5.662     55
       2261.23   5.659     48
       2243.90   5.615     45
       2242.19   5.611     59
       2240.23   5.606     88
       2238.28   5.601     57
       2236.57   5.597     46
       2233.89   5.590     31
       2232.06   5.586     33
       2230.22   5.581     51
       2228.27   5.576     35
       1430.42   3.580   1000
       1189.58   2.977    140
        818.48   2.048     36
        815.80   2.042     46
        814.82   2.039     59
        812.13   2.033     94
        809.94   2.027     99
        809.33   2.026     94
        808.47   2.023     96
        807.25   2.020     66
        806.27   2.018    101
        803.59   2.011     77
        802.12   2.008     54
        800.05   2.002     47
        730.71   1.829     55
        728.15   1.822    133
        724.73   1.814    163
        722.29   1.808    139
        719.85   1.802     58
        629.88   1.577    168
        623.41   1.560    313
        616.94   1.544    155
    

in CDCl3



KBr disc



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