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网站主页CAS数据库列表 2639-63-6更多图谱丁酸己酯(2639-63-6)质谱(MS)

丁酸己酯

产品名称 丁酸己酯

CAS号2639-63-6

分子式C10H20O2

分子量172.26

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  • Mass

    MS2015-05127CW      
    hexyl butyrate
    C10H20O2            (Mass of molecular ion:    172)
    

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

          27.0      12.7
          28.0       2.5
          29.0       7.7
          39.0       8.0
          40.0       1.8
          41.0      32.9
          42.0      14.4
          43.0      80.8
          44.0       2.7
          45.0       1.0
          53.0       1.6
          54.0       2.2
          55.0      25.1
          56.0      44.5
          57.0       6.1
          60.0       5.5
          61.0       3.6
          67.0       1.3
          69.0      24.1
          70.0       2.5
          71.0     100.0
          72.0       4.4
          73.0       6.1
          83.0       5.1
          84.0      44.3
          85.0       8.1
          86.0       2.6
          87.0       1.0
          88.0       6.4
          89.0      85.2
          90.0       4.4
          99.0       2.4
         101.0       6.3
         115.0       1.3
         129.0       3.5
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C10 H20 O2 0.04 ml : 0.5 ml CDCl3
    hexyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.06 B 2.27 C 1.70 D 1.66 E 1.51 to 1.14 F 0.95 G 0.89

         Hz     ppm     Int.
    

        370.44   4.137    181
        363.94   4.064    495
        357.44   3.992    270
        212.13   2.369    139
        211.06   2.357    153
        204.06   2.279    327
        197.44   2.205    266
        196.69   2.197    266
        159.88   1.786     92
        159.00   1.776    123
        153.13   1.710    147
        152.00   1.698    288
        151.00   1.687    177
        145.00   1.620    258
        144.31   1.612    238
        143.75   1.606    269
        139.25   1.555    111
        138.44   1.546    128
        137.13   1.532    212
        130.13   1.453    100
        127.50   1.424     98
        126.94   1.418     97
        126.00   1.407    101
        124.81   1.394    125
        124.00   1.385    131
        119.25   1.332    373
        117.81   1.316    389
        116.69   1.303    408
        115.13   1.286    388
        110.25   1.232    123
        108.31   1.210     75
         91.88   1.026    429
         84.94   0.949   1000
         84.31   0.942    596
         79.81   0.892    491
         78.19   0.874    279
         77.31   0.864    367
         76.31   0.853    228
         74.06   0.827    111
         72.50   0.810     95
    


  • 1H NMR 399.65 MHz
    C10 H20 O2 0.05 ml : 0.5 ml CDCl3
    hexyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.066 B 2.280 C 1.655 D 1.620 E 1.33 F 0.950 G 0.893

         Hz     ppm     Int.
    

       1631.84   4.084    315
       1625.12   4.067    597
       1618.29   4.050    319
        918.70   2.299    329
        911.38   2.281    577
        907.23   2.271     30
        903.93   2.262    360
        680.66   1.704     51
        673.22   1.685    213
        665.77   1.666    379
        658.33   1.648    390
        655.15   1.640    146
        650.88   1.629    263
        648.32   1.623    186
        643.55   1.611    108
        640.38   1.603    162
        633.54   1.586     65
        554.44   1.388     35
        547.73   1.371     96
        544.43   1.363     82
        541.63   1.356    121
        539.79   1.351    137
        538.45   1.348    144
        536.62   1.343    138
        531.86   1.331    203
        530.88   1.329    202
        527.22   1.320    314
        526.37   1.318    320
        523.68   1.311    425
        521.12   1.304    275
        517.33   1.295    158
        515.87   1.291    139
        512.45   1.283     84
        387.33   0.970    562
        379.88   0.951   1000
        372.44   0.932    512
        363.89   0.911    220
        357.06   0.894    624
        350.10   0.877    236
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid