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1678-91-7

乙基环己烷(1678-91-7)核磁图(13CNMR)

产品名称:乙基环己烷

CAS:1678-91-7

分子式:C8H16

分子量: 112.21

InChI:InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChIKey: IIEWJVIFRVWJOD-UHFFFAOYSA-N

Smiles:C1(CC)CCCCC1

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    Mass

    MS-NW-1028          
    ethylcyclohexane
    C8H16               (Mass of molecular ion:    112)
    

       Source Temperature: 240 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          18.0       1.6
          27.0       8.4
          29.0       7.7
          39.0       9.2
          40.0       1.5
          41.0      31.4
          42.0       8.2
          43.0       6.8
          51.0       1.1
          53.0       3.2
          54.0       4.1
          55.0      68.8
          56.0      10.2
          57.0       1.7
          67.0       9.8
          68.0       2.2
          69.0       8.1
          70.0       3.2
          81.0       1.8
          82.0      43.5
          83.0     100.0
          84.0       7.7
         112.0      20.5
         113.0       1.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H16 18.8 mg : 0.5 ml CDCl3
    ethylcyclohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.74 to 1.600 B 1.21 C 1.19 D 1.13 E 0.860 F 0.85

         Hz     ppm     Int.
    

        691.16   1.730     69
        689.45   1.726     93
        687.87   1.722    113
        686.16   1.717    115
        684.20   1.712    128
        683.59   1.711    126
        680.54   1.703    140
        679.32   1.700    141
        677.49   1.696    186
        676.27   1.693    185
        674.56   1.688    178
        673.22   1.685    172
        671.63   1.681    135
        670.78   1.679    137
        668.58   1.673    132
        667.36   1.670    131
        665.16   1.665    104
        664.06   1.662    107
        662.72   1.659     94
        661.74   1.656     90
        660.03   1.652     77
        658.69   1.649     64
        657.10   1.645     53
        655.52   1.641     47
        654.54   1.638     45
        652.83   1.634     47
        651.61   1.631     52
        649.78   1.626     57
        648.32   1.623     57
        646.73   1.619     42
        645.26   1.615     40
        494.02   1.237     56
        492.68   1.233     84
        491.33   1.230     86
        488.16   1.222     56
        487.43   1.220     60
        485.47   1.215    160
        485.11   1.214    161
        481.20   1.205    102
        478.03   1.197    387
        470.95   1.179    266
        470.21   1.177    262
        468.02   1.172    131
        466.80   1.169    172
        464.11   1.162    120
        463.01   1.159    111
        460.82   1.154     71
        459.47   1.150     62
        458.13   1.147     95
        457.03   1.144     64
        455.44   1.140     70
        451.90   1.131     52
        448.73   1.123     77
        445.80   1.116     87
        442.87   1.109     70
        441.41   1.105     58
        437.62   1.096     48
        435.55   1.090     40
        433.72   1.086     48
        431.52   1.080     37
        430.54   1.078     44
        358.52   0.898     48
        355.35   0.890     54
        353.39   0.885     33
        350.95   0.879    532
        343.75   0.861   1000
        338.62   0.848     65
        336.30   0.842    455
        333.01   0.834    107
        323.97   0.811     32
        323.36   0.810     32
        323.00   0.809     32
        322.63   0.808     32
        319.09   0.799     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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