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网站主页CAS数据库列表 38350-87-7更多图谱对正庚基苯甲酸(38350-87-7)核磁图(1HNMR)

对正庚基苯甲酸

产品名称 对正庚基苯甲酸

CAS号38350-87-7

分子式C14H20O2

分子量220.31


  • Mass

    MS-IW-0826          
    p-heptylbenzoic acid
    C14H20O2            (Mass of molecular ion:    220)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       1.7
          27.0       1.4
          29.0       2.5
          39.0       1.4
          41.0       5.3
          43.0      20.8
          55.0       2.6
          56.0       1.3
          57.0       3.1
          65.0       1.3
          77.0       3.5
          79.0       2.2
          85.0       1.2
          89.0       1.5
          90.0       2.6
          91.0      30.1
          92.0      39.4
          93.0       3.3
         103.0       1.6
         105.0       6.6
         107.0       5.4
         117.0       1.2
         118.0       3.6
         119.0       3.8
         122.0       1.2
         123.0       2.3
         131.0       2.6
         133.0       1.9
         135.0      27.9
         136.0     100.0
         137.0       9.3
         138.0       1.2
         148.0       2.7
         149.0       4.1
         150.0       1.0
         151.0       3.8
         163.0       2.7
         164.0       1.1
         175.0       5.6
         176.0       1.2
         177.0       7.4
         178.0       2.8
         191.0       1.3
         203.0       1.3
         220.0      48.9
         221.0       8.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C14 H20 O2 0.036 g : 0.5 ml CDCl3
    p-heptylbenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 8.031 C 7.274 D 2.670 E 1.630 F 1.31 G 1.27 J 0.878

         Hz     ppm     Int.
    

       3214.02   8.043    546
       3212.37   8.038    202
       3207.43   8.026    197
       3205.60   8.022    598
       2911.43   7.285    509
       2903.01   7.264    499
       1074.82   2.690    233
       1067.31   2.671    311
       1059.44   2.651    258
        667.82   1.672     35
        666.36   1.668     31
        660.32   1.653    114
        652.81   1.634    164
        648.78   1.624    104
        646.94   1.619    111
        645.30   1.615    128
        638.15   1.597     47
        535.03   1.339    159
        531.37   1.330    277
        527.52   1.320    470
        525.32   1.315    376
        523.67   1.311    384
        520.93   1.304    405
        515.80   1.291    227
        513.05   1.284    292
        509.75   1.276    347
        508.10   1.272    373
        503.52   1.260    275
        495.83   1.241     79
        357.91   0.896    305
        350.95   0.879   1000
        343.99   0.861    379
        339.04   0.849     31
    

in CDCl3



KBr disc



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