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网站主页CAS数据库列表 540-18-1更多图谱丁酸戊酯(540-18-1)核磁图(1HNMR)

丁酸戊酯

产品名称 丁酸戊酯

CAS号540-18-1

分子式C9H18O2

分子量158.24

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  • Mass

    MS-NW-8457          
    pentyl butyrate
    C9H18O2             (Mass of molecular ion:    158)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       1.2
          26.0       1.0
          27.0      20.0
          28.0       4.6
          29.0      15.2
          31.0       1.5
          39.0       9.5
          40.0       2.0
          41.0      31.5
          42.0      33.6
          43.0     100.0
          44.0       3.9
          45.0       1.8
          53.0       1.0
          55.0      24.4
          56.0       1.6
          57.0       1.8
          60.0       7.7
          61.0       2.1
          69.0       6.5
          70.0      49.2
          71.0      91.1
          72.0       4.1
          73.0       5.8
          85.0       1.1
          86.0       1.4
          87.0       1.1
          88.0       4.6
          89.0      45.5
          90.0       2.0
         101.0       3.0
         115.0       1.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H18 O2 0.05 ml : 0.5 ml CDCl3
    pentyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.059 B 2.267 C 1.70 D 1.55 E 1.4 to 1.38 F 0.95 G 0.94

         Hz     ppm     Int.
    

        370.56   4.138    217
        367.88   4.108     68
        364.13   4.066    519
        357.63   3.994    298
        212.19   2.370    148
        211.19   2.359    156
        204.13   2.280    369
        200.25   2.236     59
        197.50   2.206    302
        196.81   2.198    305
        166.63   1.861     59
        159.81   1.785    134
        159.06   1.777    151
        156.56   1.749     73
        156.19   1.744     75
        152.19   1.700    329
        145.19   1.622    343
        144.38   1.613    307
        143.94   1.608    319
        141.56   1.581    155
        139.88   1.562    211
        138.56   1.548    215
        137.25   1.533    259
        133.69   1.493    130
        132.31   1.478    131
        130.19   1.454    164
        124.94   1.396    366
        122.06   1.363    333
        121.00   1.352    290
        119.63   1.336    310
        118.13   1.320    324
        114.50   1.279    221
        110.81   1.238    173
        108.50   1.212     92
        106.94   1.195     69
        106.56   1.190     67
        106.06   1.185     67
        105.56   1.179     65
        105.13   1.174     67
        104.81   1.171     69
        103.44   1.155     58
        102.56   1.146     57
        101.06   1.129     57
        100.69   1.125     57
        100.00   1.117     57
         97.19   1.086     58
         96.63   1.079     62
         92.00   1.028    490
         85.06   0.950   1000
         81.38   0.909    589
         78.31   0.875    322
         77.50   0.866    380
         76.44   0.854    261
         71.63   0.800     66
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid