乙基環(huán)己烷(1678-91-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:乙基環(huán)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

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

¹H NMR	399.65 MHz
C₈ H₁₆	18.8 mg : 0.5 ml CDCl₃
ethylcyclohexane

    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