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Cyclohexanecarboxylic acid

CAS98-89-5

MFC7H12O2

MW128.17

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  • Mass

    MS-NW-4853          
    cyclohexanecarboxylic acid
    C7H12O2             (Mass of molecular ion:    128)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.4
          26.0       1.9
          27.0      18.5
          28.0       5.6
          29.0      13.9
          31.0       1.0
          38.0       1.2
          39.0      19.6
          40.0       3.6
          41.0      57.5
          42.0       6.7
          43.0       7.9
          45.0       4.5
          47.0       1.0
          50.0       1.3
          51.0       2.4
          52.0       1.1
          53.0       7.8
          54.0      10.6
          55.0     100.0
          56.0      41.9
          57.0       2.4
          58.0       1.1
          60.0      12.6
          61.0       6.7
          65.0       1.1
          66.0       1.6
          67.0      14.6
          68.0      38.2
          69.0      22.2
          70.0       1.2
          71.0       1.6
          73.0      75.2
          74.0       4.5
          77.0       1.3
          79.0       2.9
          81.0      10.4
          82.0      14.5
          83.0      54.6
          84.0       3.8
          85.0       1.5
          86.0       8.3
          87.0       8.1
          96.0       1.4
          97.0       1.3
          99.0      18.6
         100.0       2.9
         110.0      13.8
         111.0       1.5
         113.0       3.8
         127.0       2.5
         128.0      27.7
         129.0       2.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H12 O2 0.072 g : 0.5 ml CDCl3
    cyclohexanecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.85 B 2.330 C 1.936 D 1.762 E 1.648 F 1.457 G 1.29 J 1.24 J(B,F)=11.2HZ, J(B,C)=3.5HZ

         Hz     ppm     Int.
    

       4736.87  11.853    103
        945.87   2.367    258
        942.39   2.359    518
        938.73   2.349    321
        934.88   2.340    524
        931.22   2.331   1000
        927.56   2.321    545
        925.17   2.315     91
        923.71   2.312    291
        920.05   2.303    516
        916.38   2.293    262
        785.60   1.966    349
        781.94   1.957    643
        779.56   1.951    705
        775.53   1.941    433
        774.24   1.938    414
        769.30   1.925    712
        766.92   1.919    704
        765.82   1.917    723
        762.52   1.908    330
        713.62   1.786    510
        710.32   1.778    618
        709.77   1.776    623
        706.47   1.768    565
        704.82   1.764    503
        703.73   1.761    521
        700.79   1.754    703
        697.86   1.747    757
        694.20   1.738    439
        688.71   1.724     95
        686.14   1.717     84
        684.49   1.713     75
        683.94   1.712     74
        683.39   1.710     74
        682.11   1.707     76
        680.10   1.702     65
        677.90   1.697     71
        676.25   1.693     73
        675.70   1.691     72
        674.24   1.688     77
        665.08   1.665    405
        664.34   1.663    419
        662.88   1.659    378
        661.41   1.655    386
        660.68   1.654    369
        659.22   1.650    327
        655.37   1.640    331
        654.09   1.637    312
        652.81   1.634    270
        651.52   1.631    267
        649.87   1.627    276
        645.30   1.615    114
        613.79   1.536     40
        613.42   1.535     40
        612.88   1.534     40
        612.14   1.532     42
        601.52   1.506    260
        598.40   1.498    308
        589.61   1.476    571
        586.68   1.468    701
        575.14   1.440    621
        574.41   1.438    623
        565.62   1.416    265
        562.69   1.408    310
        552.80   1.384     40
        550.78   1.379     40
        549.68   1.376     41
        548.95   1.374     42
        548.22   1.372     43
        547.67   1.371     42
        543.27   1.360     56
        537.78   1.346    250
        534.66   1.338    312
        530.82   1.329    179
        526.05   1.317    547
        522.94   1.309    689
        520.38   1.303    418
        517.63   1.296    264
        513.23   1.285    631
        510.85   1.279    862
        509.02   1.274    730
        504.07   1.262    686
        502.61   1.258    721
        499.31   1.250    482
        498.03   1.247    423
        496.01   1.242    478
        492.90   1.234    331
        486.86   1.219    140
        484.29   1.212    253
        481.18   1.205    158
        475.68   1.191     49
        472.57   1.183     96
        469.46   1.175     59
    

in CDCl3



CCl4 solution



KBr disc



liquid film



4880 A,200 M,powder