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3-甲基丁酸己(基)酯

产品名称 3-甲基丁酸己(基)酯

CAS号10032-13-0

分子式C11H22O2

分子量186.29

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  • Mass

    MS2016-05339CW      
    hexyl isovalerate
    C11H22O2            (Mass of molecular ion:    186)
    

       Source Temperature: 240 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          17.0       8.6
          18.0      35.7
          27.0       6.8
          28.0       6.9
          29.0      10.8
          32.0       1.5
          39.0       7.4
          41.0      30.2
          42.0      12.6
          43.0      43.1
          44.0       4.8
          55.0      20.1
          56.0      47.9
          57.0      54.3
          58.0       2.3
          59.0       3.6
          60.0      10.9
          61.0      19.2
          69.0      23.6
          83.0       3.7
          84.0      56.6
          85.0     100.0
          86.0       5.9
          87.0      19.8
         102.0       7.0
         103.0      99.2
         104.0       5.7
         115.0       3.2
         129.0       3.4
    

90 MHz in CDCl3

in CDCl3


  • 1H NMR 89.56 MHz
    C11 H22 O2 0.04 ml : 0.5 ml CDCl3
    hexyl isovalerate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.058 B 2.18 C 2.00 D 1.62 E 1.42 to 1.24 F 0.96 G 0.92 THE SHIFT VALUES WERE OBTAINED AT 400MHZ.

         Hz     ppm     Int.
    

        370.38   4.136    154
        363.94   4.064    389
        357.50   3.992    217
        200.44   2.239     38
        196.63   2.196    156
        194.94   2.177    346
        192.88   2.154    392
        188.38   2.104     75
        186.69   2.085     74
        181.56   2.028     51
        151.50   1.692     73
        145.06   1.620    115
        139.13   1.554     98
        138.31   1.545     98
        134.06   1.497     77
        133.94   1.496     77
        132.75   1.483     79
        131.69   1.471     77
        118.44   1.323    425
        116.88   1.306    434
        115.56   1.291    405
        107.75   1.204     89
        104.19   1.164     52
        100.56   1.123     55
         96.38   1.077     61
         93.69   1.047     59
         93.56   1.045     59
         88.88   0.993   1000
         87.38   0.976    538
         85.56   0.956    506
         82.38   0.920    930
         79.94   0.893    459
         74.00   0.827    108
    



in CDCl3



liquid film



4880 A,200 M,liquid