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网站主页CAS数据库列表 626-82-4更多图谱己酸丁酯(626-82-4)核磁图(1HNMR)

己酸丁酯

产品名称 己酸丁酯

CAS号626-82-4

分子式C10H20O2

分子量172.26

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  • Mass

    MS-NW-0908          
    butyl hexanoate
    C10H20O2            (Mass of molecular ion:    172)
    

       Source Temperature: 290 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.2
          27.0      19.7
          28.0       7.4
          29.0      39.5
          30.0       1.0
          31.0       2.1
          39.0      10.4
          40.0       1.9
          41.0      45.0
          42.0       8.0
          43.0      60.3
          44.0       2.0
          45.0       2.8
          53.0       1.5
          55.0      17.2
          56.0     100.0
          57.0      31.0
          58.0       1.3
          59.0       1.0
          60.0      28.8
          61.0       9.1
          69.0       4.4
          70.0       3.3
          71.0      29.1
          72.0       1.7
          73.0      18.7
          74.0       2.5
          75.0       2.5
          83.0       1.5
          86.0       1.0
          87.0      10.1
          88.0       1.2
          89.0       5.2
          97.0       1.3
          98.0       1.0
          99.0      78.2
         100.0       5.3
         101.0       2.9
         116.0       6.6
         117.0      56.9
         118.0       3.9
         129.0       1.6
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C10 H20 O2 0.04 ml : 0.5 ml CDCl3
    butyl hexanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.071 B 2.282 C 1.63 to 1.53 D 1.43 E 1.38 to 1.25 F 0.94 G 0.90

         Hz     ppm     Int.
    

        371.06   4.144    272
        364.63   4.072    737
        358.13   3.999    376
        213.13   2.380    147
        212.00   2.368    155
        205.44   2.294    415
        198.38   2.216    308
        197.75   2.209    339
        153.50   1.714    163
        153.00   1.709    157
        151.63   1.694    193
        149.25   1.667    156
        148.63   1.660    130
        146.94   1.641    178
        145.00   1.620    314
        142.75   1.594    224
        138.75   1.550    326
        137.06   1.531    293
        133.38   1.490    287
        132.00   1.474    248
        129.19   1.443    187
        128.63   1.437    176
        127.44   1.423    243
        125.69   1.404    252
        122.75   1.371    469
        120.06   1.341    374
        119.63   1.336    370
        118.94   1.329    424
        117.13   1.308    321
        115.75   1.293    427
        112.56   1.257    323
        111.44   1.245    225
        109.81   1.227    130
        108.81   1.215    164
        106.00   1.184     96
         91.25   1.019    241
         90.19   1.008    412
         89.50   1.000    398
         87.88   0.982    219
         86.75   0.969    272
         85.81   0.959    313
         83.75   0.936   1000
         82.06   0.917    427
         81.50   0.911    431
         80.31   0.897    875
         77.69   0.868    238
         76.19   0.851    248
         74.25   0.830    247
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid