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网站主页CAS数据库列表 67589-53-1更多图谱反-戊基环己烷甲酸-对-乙氧基苯酚酯(67589-53-1)质谱(MS)

反-戊基环己烷甲酸-对-乙氧基苯酚酯

产品名称 反-戊基环己烷甲酸-对-乙氧基苯酚酯

CAS号67589-53-1

分子式C20H30O3

分子量318.45


  • Mass

    MS-NW-4501          
    p-ethoxyphenyl trans-4-pentylcyclohexanecarboxylate
    C20H30O3            (Mass of molecular ion:    318)
    

       Source Temperature: 160 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          27.0       1.6
          29.0       3.3
          39.0       1.1
          41.0       5.2
          43.0       3.4
          53.0       1.2
          54.0       1.3
          55.0       7.3
          57.0       1.9
          67.0       3.5
          69.0       5.1
          71.0       2.0
          81.0       5.1
          83.0       9.5
          95.0       1.8
          97.0       9.1
         109.0       2.9
         110.0      11.9
         111.0       2.3
         138.0     100.0
         139.0       9.1
         153.0       1.7
         318.0       3.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C20 H30 O3 0.014 g : 0.5 ml CDCl3
    p-ethoxyphenyl trans-4-pentylcyclohexanecarboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.953 B 6.862 C 4.002 D 2.443 E 2.113 F 1.863 G 1.54 J 1.398 K 1.36 to 1.190 L 1.21 M 0.96 N 0.889

         Hz     ppm     Int.
    

       2787.84   6.976     39
       2784.42   6.968    382
       2782.10   6.962    135
       2779.79   6.956     35
       2777.71   6.951    160
       2775.27   6.945    591
       2771.85   6.936     73
       2749.51   6.880     74
       2746.09   6.872    567
       2743.77   6.866    149
       2741.46   6.860     31
       2739.38   6.855    122
       2737.06   6.849    339
       2733.52   6.840     34
       1609.86   4.029    140
       1602.91   4.011    463
       1595.83   3.994    464
       1588.87   3.976    144
        989.01   2.475     53
        985.47   2.466     33
        980.35   2.454     57
        976.68   2.444    111
        973.14   2.435     60
        968.02   2.423     34
        964.48   2.414     59
        960.94   2.405     30
        852.66   2.134     91
        851.44   2.131     90
        849.37   2.126     96
        844.24   2.113     52
        839.11   2.100    104
        838.50   2.099    102
        837.04   2.095     96
        835.69   2.092     97
        752.44   1.883     95
        751.46   1.881     96
        749.76   1.877    101
        739.01   1.850    104
        736.21   1.843     99
        636.47   1.593     33
        634.77   1.589     52
        631.23   1.580     45
        621.46   1.556    121
        618.04   1.547    106
        609.01   1.524    108
        605.59   1.516    105
        595.83   1.491     42
        592.41   1.483     38
        565.55   1.416    492
        558.59   1.398   1000
        551.64   1.381    474
        532.47   1.333     79
        526.12   1.317    156
        525.15   1.315    151
        522.71   1.308    150
        519.53   1.300    214
        517.21   1.295    202
        511.84   1.281    223
        508.30   1.272    228
        506.84   1.269    211
        506.47   1.268    210
        506.10   1.267    210
        504.39   1.263    174
        502.69   1.258    182
        499.51   1.250    126
        497.68   1.246    128
        496.09   1.242    141
        493.53   1.235     91
        492.07   1.232    102
        487.67   1.221    160
        483.40   1.210    129
        481.20   1.205    131
        475.83   1.191     68
        474.00   1.187     92
        468.26   1.172     33
        406.13   1.017     49
        402.59   1.008     50
        392.82   0.983    110
        389.53   0.975     96
        381.59   0.955     85
        378.42   0.947     93
        368.16   0.922     52
        362.43   0.907    255
        355.59   0.890    686
        351.20   0.879     58
        348.39   0.872    281
    

in CDCl3



KBr disc