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108-93-0

环己醇(108-93-0)质谱(MS)

产品名称:环己醇

CAS:108-93-0

分子式:C6H12O

分子量: 100.16

InChI:InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

InChIKey: HPXRVTGHNJAIIH-UHFFFAOYSA-N

Smiles:C1(O)CCCCC1

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    Mass

    MS-NW-5520          
    cyclohexanol
    C6H12O              (Mass of molecular ion:    100)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.4
          18.0       1.7
          26.0       1.3
          27.0      11.4
          28.0       3.5
          29.0      10.1
          31.0       5.9
          38.0       1.0
          39.0      11.4
          40.0       2.2
          41.0      22.7
          42.0       7.4
          43.0       6.9
          44.0      24.0
          45.0       4.0
          50.0       1.1
          51.0       1.6
          53.0       4.1
          54.0      14.8
          55.0       8.1
          56.0      13.2
          57.0     100.0
          58.0       8.7
          67.0      26.5
          68.0       1.8
          69.0       1.8
          70.0       1.2
          71.0      13.2
          72.0       7.0
          79.0       1.7
          81.0       5.4
          82.0      46.1
          83.0       4.1
          85.0       1.0
          99.0       1.4
         100.0       3.3
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 O 10.3 mol% in CDCl3
    cyclohexanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.58 B 2.63 C 1.04 to 2.04 400MHZ : HSP-40-238

         Hz     ppm     Int.
    

        331.00   3.696     30
        326.38   3.645     45
        325.44   3.634     49
        324.50   3.624     48
        321.63   3.592     68
        319.44   3.567     48
        318.63   3.558     52
        317.31   3.543     66
        315.94   3.528     50
        313.75   3.504     40
        313.00   3.495     37
        312.00   3.484     46
        235.56   2.631   1000
        179.50   2.005     37
        178.25   1.991     48
        174.50   1.949     84
        172.63   1.928    105
        170.50   1.904    142
        169.56   1.894    151
        168.69   1.884    145
        167.38   1.869    152
        166.50   1.860    147
        165.81   1.852    148
        163.25   1.823    138
        161.00   1.798    163
        160.06   1.788    158
        158.63   1.772    183
        156.69   1.750    156
        155.06   1.732    181
        154.06   1.721    181
        148.44   1.658     87
        147.38   1.646     83
        145.94   1.630     83
        145.81   1.629     83
        144.81   1.617     83
        143.31   1.601     94
        142.63   1.593     99
        141.63   1.582    100
        140.63   1.571     97
        140.06   1.564     98
        138.75   1.550    101
        137.63   1.537     99
        134.13   1.498     81
        131.19   1.465     92
        130.88   1.462     93
        130.38   1.456     95
        129.69   1.449     91
        129.56   1.447     91
        128.88   1.440     91
        128.75   1.438     91
        126.69   1.415     90
        126.25   1.410     90
        121.75   1.360    154
        118.81   1.327    178
        114.38   1.278    293
        113.31   1.266    334
        110.75   1.237    298
        109.13   1.219    263
        107.38   1.199    202
        105.75   1.181    223
        105.00   1.173    222
         99.81   1.115     67
         99.44   1.111     66
    

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    1H NMR 399.65 MHz
    C6 H12 O 0.05 ml : 0.5 ml CDCl3
    cyclohexanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.578 B 2.84 C 1.882 D 1.728 E 1.542 F 1.30 to 1.22 G 1.16

         Hz     ppm     Int.
    

       1443.48   3.612     49
       1439.21   3.602     79
       1434.08   3.589    131
       1429.93   3.578    156
       1425.54   3.567    129
       1422.49   3.560     76
       1420.53   3.555     85
       1416.50   3.545     39
       1134.40   2.839   1000
        761.60   1.906    131
        756.71   1.894    266
        753.66   1.886    272
        752.56   1.884    276
        749.88   1.877    228
        748.66   1.874    226
        743.53   1.861    158
        700.93   1.754    120
        697.39   1.746    176
        692.87   1.734    223
        691.89   1.732    233
        688.84   1.724    327
        685.18   1.715    235
        683.96   1.712    217
        679.69   1.701     92
        673.95   1.687     45
        672.36   1.683     36
        625.37   1.565     95
        623.54   1.561    107
        622.44   1.558    126
        621.34   1.555    112
        619.38   1.550    100
        617.19   1.545     82
        615.84   1.541     97
        614.38   1.538    101
        613.04   1.534    102
        610.35   1.528    132
        608.15   1.522    102
        606.93   1.519    109
        603.39   1.510     42
        602.42   1.508     40
        529.05   1.324     61
        525.76   1.316     62
        521.48   1.305     78
        517.46   1.295    162
        512.94   1.284    254
        511.84   1.281    267
        508.06   1.272    319
        504.64   1.263    539
        502.69   1.258    527
        496.95   1.244    289
        493.04   1.234    408
        483.76   1.211    111
        482.18   1.207    110
        479.25   1.200    100
        475.83   1.191     86
        474.00   1.187     77
        470.21   1.177     84
        466.80   1.169    105
        464.23   1.162    103
        458.62   1.148     79
        455.20   1.139     81
        451.66   1.131     64
        447.27   1.120     32
        443.73   1.111     30
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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