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苯甲酸-(2-甲戊基)酯

产品名称 苯甲酸-(2-甲戊基)酯

CAS号59736-57-1

分子式C13H18O2

分子量206.28

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  • Mass

    MS2015-05286CW      
    2-methylpentyl benzoate
    C13H18O2            (Mass of molecular ion:    206)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          27.0       2.9
          29.0       2.6
          39.0       4.6
          41.0      14.5
          42.0       5.3
          43.0       5.4
          50.0       1.8
          51.0       6.4
          53.0       1.7
          55.0       9.9
          56.0      27.1
          57.0       1.5
          67.0       1.6
          69.0      22.1
          70.0       1.4
          76.0       1.5
          77.0      28.1
          78.0       2.5
          79.0       2.0
          84.0      47.8
          85.0       3.4
         105.0     100.0
         106.0       8.3
         122.0       4.6
         123.0      19.6
         124.0       1.6
         135.0       1.1
    

90 MHz in CDCl3

in CDCl3


  • 1H NMR 89.56 MHz
    C13 H18 O2 0.04 ml : 0.5 ml CDCl3
    2-methylpentyl benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.05 B 7.50 C 7.47 D *1 4.193 E *1 4.136 F 1.94 G 1.64 to 1.09 J 1.018 K 0.93 J(D,E)=-10.7HZ J(D,F)=5.9HZ J(E,F)=6.4HZ

         Hz     ppm     Int.
    

        726.06   8.107    250
        724.44   8.089    252
        722.81   8.071    128
        721.94   8.061    103
        720.50   8.045     90
        719.00   8.029    193
        718.50   8.023    192
        717.63   8.013    101
        716.25   7.998    334
        715.06   7.985     71
        684.75   7.646     42
        682.94   7.626     40
        677.94   7.570     88
        676.75   7.557    114
        673.94   7.526    110
        673.19   7.517    188
        671.19   7.495    527
        670.38   7.486    207
        669.31   7.474    192
        668.94   7.470    182
        667.63   7.455    114
        665.56   7.432    121
        664.56   7.421    153
        663.94   7.414    201
        663.44   7.408    222
        661.94   7.392     40
        661.06   7.382     33
        659.81   7.368     46
        658.31   7.351     86
        656.81   7.334     39
        655.06   7.315     53
        387.81   4.331     51
        381.94   4.265     59
        377.13   4.211    318
        374.19   4.179    336
        371.19   4.145    340
        367.81   4.107    338
        363.50   4.059     54
        357.13   3.988     59
        177.50   1.982     33
        176.81   1.975     33
        176.50   1.971     33
        171.44   1.915     36
        170.69   1.906     37
        137.19   1.532     37
        136.13   1.520     38
        134.63   1.504     50
        133.81   1.495     41
        131.63   1.470     54
        129.94   1.451    128
        128.56   1.436     75
        127.88   1.428     90
        127.00   1.419    110
        125.56   1.402    116
        124.44   1.390    169
        123.50   1.379    145
        122.69   1.370    157
        120.94   1.351    143
        120.06   1.341    151
        119.44   1.334    168
        118.81   1.327    163
        117.06   1.308    113
        116.13   1.297    110
        114.25   1.276     82
        113.75   1.271     77
        112.19   1.253     77
        110.94   1.239     53
        109.94   1.228     49
        108.94   1.217     59
        107.88   1.205     69
        104.38   1.166     48
        103.50   1.156     49
        102.38   1.144     38
        101.25   1.131     56
         99.00   1.106     31
         97.94   1.094     32
         95.94   1.072     57
         94.25   1.053   1000
         87.63   0.979    851
         85.63   0.957    165
         82.69   0.924    384
         80.69   0.901    126
         78.00   0.871     63
         76.94   0.860    100
         75.38   0.842     60
         74.00   0.827     39
         73.00   0.816     36
    



in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid