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网站主页CAS数据库列表 106-27-4更多图谱丁酸异戊酯(106-27-4)质谱(MS)

丁酸异戊酯

产品名称 丁酸异戊酯

CAS号106-27-4

分子式C9H18O2

分子量158.24

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  • Mass

    MS-NW-8461          
    isopentyl butyrate
    C9H18O2             (Mass of molecular ion:    158)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          27.0      12.1
          28.0       3.0
          29.0       8.4
          39.0       6.1
          40.0       1.1
          41.0      21.0
          42.0      15.5
          43.0      81.8
          44.0       3.1
          45.0       2.2
          53.0       1.0
          55.0      32.8
          56.0       2.2
          57.0       2.4
          60.0       3.3
          69.0       4.7
          70.0      71.1
          71.0     100.0
          72.0       4.6
          73.0       2.4
          85.0       1.6
          87.0       1.0
          88.0       2.4
          89.0      12.8
         101.0       3.1
         115.0       3.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H18 O2 0.05 ml : 0.5 ml CDCl3
    isopentyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.105 B 2.275 C 1.67 D 1.655 E 1.522 F 0.949 G 0.926

         Hz     ppm     Int.
    

       1647.46   4.123    194
       1640.63   4.106    367
       1633.79   4.089    198
        916.63   2.294    268
        909.30   2.276    372
        901.86   2.257    217
        690.67   1.729     32
        683.84   1.712     65
        679.81   1.702     47
        677.12   1.695     80
        672.49   1.683    141
        670.41   1.678     79
        668.46   1.673     86
        666.99   1.669     30
        665.04   1.665    230
        661.01   1.654     80
        657.59   1.646    218
        653.56   1.636     46
        650.15   1.627    120
        642.82   1.609     30
        618.29   1.548    117
        611.45   1.530    305
        604.49   1.513    272
        597.66   1.496     92
        386.84   0.968    353
        379.39   0.950    613
        373.41   0.935   1000
        372.19   0.932    560
        366.58   0.918    919
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid