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Back ChemicalBook Home>CAS DataBase List>67589-69-9More Spectrum> 4β-Pentyl-1α-cyclohexanecarboxylic acid p-tolyl ester(67589-69-9) 13C NMR

4β-Pentyl-1α-cyclohexanecarboxylic acid p-tolyl ester(67589-69-9) 13C NMR

Molecular FormulaC19H28O2

Molecular Weight288.42


  • Mass

    MS-NW-4493          
    p-tolyl trans-4-pentylcyclohexanecarboxylate
    C19H28O2            (Mass of molecular ion:    288)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.5
          27.0       7.1
          28.0       2.3
          29.0      10.7
          39.0       7.1
          40.0       1.3
          41.0      27.3
          42.0       2.2
          43.0      17.3
          51.0       2.5
          52.0       1.6
          53.0       6.9
          54.0       8.1
          55.0      43.8
          56.0       3.0
          57.0      16.3
          65.0       3.4
          66.0       1.4
          67.0      21.6
          68.0       5.0
          69.0      38.5
          70.0       2.6
          71.0      21.0
          72.0       1.2
          77.0       9.3
          78.0       2.7
          79.0       9.5
          80.0       3.3
          81.0      29.4
          82.0       8.1
          83.0      87.9
          84.0       6.1
          85.0       5.2
          90.0       1.5
          91.0       5.9
          92.0       1.1
          93.0       1.9
          95.0      11.8
          96.0       9.6
          97.0     100.0
          98.0       8.0
         107.0      18.2
         108.0      89.0
         109.0      15.6
         110.0       2.5
         111.0      25.5
         112.0       2.5
         123.0       1.4
         124.0       1.2
         137.0       1.0
         138.0       1.3
         149.0       3.5
         151.0       1.5
         152.0       1.4
         153.0      45.0
         154.0       5.6
         162.0       1.8
         180.0      51.5
         181.0      30.3
         182.0       3.9
         288.0       7.3
         289.0       1.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C19 H28 O2 0.038 g : 0.5 ml CDCl3
    p-tolyl trans-4-pentylcyclohexanecarboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.149 B 6.930 C 2.449 D 2.327 E 2.119 F 1.864 G 1.542 J 1.37 to 1.18 K 1.20 L 0.96 M 0.889

         Hz     ppm     Int.
    

       2864.87   7.169     36
       2864.14   7.167     41
       2862.18   7.162    237
       2861.45   7.160    268
       2860.11   7.157    117
       2859.38   7.155     94
       2855.71   7.146     95
       2853.52   7.141    317
       2852.78   7.139    294
       2850.83   7.134     56
       2850.22   7.132     49
       2776.25   6.947     60
       2773.68   6.941    442
       2771.73   6.936    138
       2767.09   6.924    121
       2765.26   6.920    366
       2762.57   6.913     50
        991.58   2.482     60
        987.92   2.472     35
        982.79   2.460     61
        979.25   2.451    120
        975.71   2.442     64
        970.58   2.429     38
        967.04   2.420     65
        963.50   2.411     34
        930.05   2.328   1000
        855.10   2.140     90
        853.76   2.137     87
        851.68   2.132     92
        846.56   2.119     50
        841.43   2.106     99
        839.48   2.101     91
        838.01   2.097     93
        752.44   1.883     91
        751.46   1.881     90
        749.76   1.877     97
        743.90   1.862     44
        743.65   1.861     44
        738.89   1.849     98
        735.96   1.842     93
        636.84   1.594     47
        633.42   1.585     44
        623.66   1.561    118
        620.12   1.552    105
        611.21   1.530    107
        607.67   1.521    102
        597.90   1.497     40
        594.48   1.488     36
        532.35   1.333     78
        531.62   1.331     74
        526.12   1.317    150
        524.90   1.314    142
        522.58   1.308    142
        519.53   1.300    203
        517.09   1.294    190
        511.72   1.281    208
        508.18   1.272    210
        506.59   1.268    190
        505.98   1.267    191
        504.03   1.262    156
        502.56   1.258    170
        499.39   1.250    118
        495.97   1.242    133
        492.07   1.232     95
        487.55   1.220    149
        483.40   1.210    119
        480.83   1.204    123
        476.07   1.192     61
        473.75   1.186     87
        468.14   1.172     31
        405.88   1.016     49
        402.47   1.008     49
        392.70   0.983    108
        389.28   0.975     94
        381.47   0.955     83
        378.30   0.947     90
        368.16   0.922     52
        364.50   0.913     75
        362.43   0.907    252
        355.59   0.890    718
        351.44   0.880     52
        348.27   0.872    285
    

in CDCl3



KBr disc



4β-Pentyl-1α-cyclohexanecarboxylic acid p-tolyl ester(67589-69-9) 13C NMR Atlas of Related Products

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