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网站主页CAS数据库列表 38289-29-1更多图谱反式-4-戊基环己烷甲酸(38289-29-1)核磁图(13CNMR)

反式-4-戊基环己烷甲酸

产品名称 反式-4-戊基环己烷甲酸

CAS号38289-29-1

分子式C12H22O2

分子量198.3

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  • Mass

    MS-NW-7087          
    trans-4-pentylcyclohexanecarboxylic acid
    C12H22O2            (Mass of molecular ion:    198)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       2.7
          27.0      10.6
          28.0       3.5
          29.0      16.1
          39.0      10.4
          40.0       2.1
          41.0      32.7
          42.0       5.1
          43.0      16.9
          44.0       1.1
          45.0       2.2
          51.0       1.1
          53.0       7.0
          54.0       7.7
          55.0      28.5
          56.0       8.6
          57.0       7.0
          60.0       1.5
          65.0       1.8
          66.0       1.5
          67.0      20.1
          68.0       6.4
          69.0      17.2
          70.0      19.0
          71.0       7.7
          73.0      16.6
          74.0       2.0
          77.0       2.6
          79.0       6.3
          80.0       5.9
          81.0     100.0
          82.0      18.0
          83.0      11.2
          84.0       4.0
          85.0       2.2
          86.0       4.5
          87.0       6.3
          88.0       3.0
          91.0       1.7
          92.0       1.0
          93.0       2.0
          94.0       2.2
          95.0      14.0
          96.0      11.0
          97.0      11.9
          98.0       4.7
          99.0       4.9
         100.0       2.0
         101.0       1.6
         105.0       1.0
         107.0       1.0
         108.0       3.0
         109.0      31.5
         110.0       7.5
         111.0       6.9
         112.0       2.3
         113.0       1.3
         115.0       2.9
         116.0       1.6
         123.0       3.5
         124.0       9.4
         125.0       2.0
         126.0       8.5
         127.0       9.4
         128.0       3.8
         129.0       2.2
         137.0       2.0
         138.0       4.2
         141.0       1.8
         142.0      14.9
         143.0       2.2
         149.0       2.1
         151.0       3.3
         152.0       1.4
         155.0       2.8
         162.0       1.1
         169.0       1.8
         180.0      10.5
         181.0       1.5
         183.0       2.6
         198.0      19.2
         199.0       2.7
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H22 O2 0.046 g : 0.5 ml CDCl3
    trans-4-pentylcyclohexanecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 2.245 C *1 2.000 D *1 1.818 E 1.415 F 1.30 to 1.24 G 1.21 to 1.15 J 0.91 K 0.880 J(B,C)=3.7HZ. J(B,E)=12.3HZ.

         Hz     ppm     Int.
    

        913.45   2.286     37
        909.97   2.277     76
        906.31   2.268     48
        901.18   2.255     80
        897.70   2.247    158
        894.22   2.238     86
        889.09   2.225     48
        885.43   2.216     85
        881.95   2.207     42
        807.58   2.021    135
        806.30   2.018    131
        804.47   2.013    140
        798.97   2.000     78
        793.84   1.987    149
        792.01   1.982    137
        790.55   1.979    137
        733.22   1.835    144
        732.30   1.833    147
        721.13   1.805    150
        718.20   1.798    139
        586.87   1.469     65
        583.39   1.460     67
        573.68   1.436    170
        570.20   1.427    154
        561.22   1.405    160
        557.74   1.396    153
        548.03   1.372     71
        544.74   1.364     63
        537.23   1.345     33
        535.03   1.339     39
        527.89   1.321    111
        526.24   1.317     88
        521.47   1.305    227
        514.88   1.289    319
        508.29   1.272    299
        507.37   1.270    293
        502.24   1.257    322
        501.14   1.254    315
        498.21   1.247    215
        497.11   1.244    223
        495.10   1.239    164
        493.63   1.236    158
        492.35   1.232    164
        491.62   1.231    162
        490.34   1.227    173
        486.49   1.218    133
        481.73   1.206    129
        477.15   1.194    213
        474.40   1.188    203
        473.30   1.185    196
        472.94   1.184    195
        470.01   1.177    224
        463.41   1.160    140
        458.10   1.147     45
        455.53   1.140     32
        382.82   0.958     65
        379.34   0.950     75
        376.22   0.942     49
        369.63   0.925    160
        366.33   0.917    147
        358.64   0.898    470
        351.86   0.881   1000
        344.72   0.863    427
        341.97   0.856     88
    


  • 1H NMR 89.56 MHz
    C12 H22 O2 0.051 g : 0.5 ml CDCl3
    trans-4-pentylcyclohexanecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.49 B 2.48 to 0.65 C 1.25 D 0.88

         Hz     ppm     Int.
    

       1029.32  11.494     51
        206.10   2.302     32
        204.99   2.289     40
        204.65   2.286     41
        202.34   2.260     72
        201.66   2.252     70
        200.63   2.241     55
        200.29   2.237     54
        198.84   2.221     55
        198.50   2.217     53
        195.68   2.185     31
        195.08   2.179     32
        193.97   2.166     40
        193.29   2.159     41
        187.56   2.095    150
        185.51   2.072    105
        183.20   2.046     83
        181.15   2.023     69
        180.81   2.019     68
        170.56   1.905    239
        163.81   1.830     85
        163.55   1.827     85
        158.76   1.773    133
        158.42   1.769    136
        158.08   1.766    135
        157.57   1.760    134
        157.06   1.754    134
        156.54   1.748    134
        150.48   1.681     51
        149.54   1.670     48
        149.02   1.664     48
        145.86   1.629     74
        145.43   1.624     72
        144.67   1.616     66
        143.98   1.608     59
        143.21   1.600     57
        142.87   1.596     57
        142.53   1.592     56
        141.33   1.579     51
        140.22   1.566     47
        139.79   1.561     46
        139.11   1.554     46
        133.73   1.494    134
        133.30   1.489    134
        119.20   1.331    240
        111.60   1.247   1000
         99.04   1.106    176
         98.01   1.095    169
         97.58   1.090    164
         97.07   1.084    162
         95.19   1.063    152
         91.69   1.024    114
         90.32   1.009    109
         84.08   0.939    266
         81.77   0.914    239
         81.18   0.907    237
         78.87   0.881    524
         74.34   0.831    147
         72.72   0.812    171
         67.33   0.752     50
         66.05   0.738     38
         65.45   0.731     35
         64.69   0.723     33
         63.75   0.712     31
         63.23   0.707     30
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder