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网站主页CAS数据库列表 20029-52-1更多图谱4-环己基苯甲酸(20029-52-1)核磁图(1HNMR)

4-环己基苯甲酸

产品名称 4-环己基苯甲酸

CAS号20029-52-1

分子式C13H16O2

分子量204.26

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  • Mass

    MS-IW-9553          
    p-cyclohexylbenzoic acid
    C13H16O2            (Mass of molecular ion:    204)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.8
          27.0       3.6
          28.0       1.9
          29.0       2.9
          39.0       6.5
          41.0      11.9
          45.0       1.0
          50.0       1.5
          51.0       4.5
          52.0       1.1
          53.0       2.8
          54.0       2.7
          55.0       4.7
          63.0       2.7
          64.0       1.2
          65.0       3.5
          67.0       8.0
          68.0       1.2
          69.0       6.7
          75.0       1.3
          76.0       1.6
          77.0      11.1
          78.0       2.3
          79.0       3.1
          81.0       5.7
          82.0       7.5
          83.0       1.0
          89.0       2.5
          90.0       1.9
          91.0      32.8
          92.0       6.1
          99.0       5.3
         102.0       2.3
         103.0       7.3
         104.0       2.5
         105.0       4.2
         107.0       5.5
         115.0      12.9
         116.0       4.2
         117.0      36.5
         118.0       5.2
         119.0       1.0
         123.0       8.1
         127.0       1.4
         128.0       3.0
         129.0       4.0
         130.0       1.1
         131.0      19.5
         132.0       2.2
         135.0      18.4
         136.0      10.7
         137.0       1.2
         143.0       1.0
         145.0       1.7
         148.0     100.0
         149.0      11.2
         150.0       1.1
         157.0       1.1
         159.0      34.3
         160.0       5.0
         161.0       5.6
         162.0       3.7
         168.0       2.0
         175.0       1.5
         186.0       2.6
         187.0       2.1
         203.0       1.0
         204.0      68.0
         205.0       9.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C13 H16 O2 0.041 g : 0.5 ml DMSO-d6
    p-cyclohexylbenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.8 B 7.884 C 7.335 D 2.56 E 1.78 F 1.702 G 1.38 J 1.238

         Hz     ppm     Int.
    

       3155.23   7.895    927
       3153.58   7.891    359
       3148.63   7.879    367
       3146.98   7.875   1000
       2935.79   7.346    860
       2931.40   7.335     98
       2927.55   7.326    804
       1034.71   2.590     73
       1034.16   2.588     74
       1033.79   2.587     74
       1033.43   2.586     76
       1032.69   2.584     79
       1032.33   2.584     79
       1030.13   2.578     64
       1029.58   2.577     63
       1029.21   2.576     64
       1023.90   2.562    142
       1021.34   2.556    126
       1017.12   2.546     69
       1013.28   2.536    100
       1012.91   2.535    100
       1011.81   2.532    104
       1011.26   2.531    104
       1010.35   2.529    103
       1009.61   2.527    101
       1009.25   2.526    100
        718.01   1.797    508
        717.28   1.795    505
        711.42   1.781    354
        706.66   1.769    555
        687.61   1.721    131
        685.96   1.717    143
        685.59   1.716    142
        679.73   1.701     69
        677.72   1.696     94
        674.97   1.689    133
        674.60   1.688    133
        673.69   1.686    141
        673.32   1.685    142
        580.27   1.452     68
        568.00   1.422    216
        558.47   1.398    534
        549.68   1.376    433
        548.22   1.372    406
        542.72   1.358     90
        539.79   1.351    163
        537.59   1.346    205
        527.15   1.320     62
        524.96   1.314     77
        524.59   1.313     77
        509.20   1.275     61
        496.93   1.244    108
        484.66   1.213     84
    

in DMSO-d6



KBr disc



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