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己酸己酯

产品名称 己酸己酯

CAS号6378-65-0

分子式C12H24O2

分子量200.32

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  • Mass

    MS-IW-9444          
    hexyl hexanoate
    C12H24O2            (Mass of molecular ion:    200)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0      12.5
          28.0       4.4
          29.0      18.8
          31.0       1.0
          39.0       6.7
          40.0       1.5
          41.0      30.8
          42.0      23.7
          43.0     100.0
          44.0       3.9
          45.0       1.9
          53.0       1.6
          54.0       2.2
          55.0      29.9
          56.0      57.0
          57.0      10.2
          58.0       1.1
          59.0       1.0
          60.0      12.5
          61.0      19.6
          67.0       1.1
          68.0       1.0
          69.0      22.1
          70.0       4.1
          71.0      23.3
          72.0       1.6
          73.0      11.8
          74.0       1.4
          75.0       1.8
          83.0       4.0
          84.0      57.9
          85.0      10.3
          87.0       7.7
          89.0       3.9
          97.0       1.3
          98.0       1.3
          99.0      58.8
         100.0       4.1
         101.0       1.6
         116.0       4.4
         117.0      67.3
         118.0       4.6
         129.0       1.9
         144.0       1.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H24 O2 0.05 ml : 0.5 ml CDCl3
    hexyl hexanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.062 B 2.291 C 1.62 D 1.32 E 0.898 F 0.893

         Hz     ppm     Int.
    

       1630.25   4.080    383
       1623.54   4.063    739
       1616.82   4.046    396
        923.34   2.311    380
        915.89   2.292    580
        911.87   2.282     30
        908.20   2.273    398
        530.40   1.328    429
        529.30   1.325    457
        527.59   1.321    732
        525.63   1.316    527
        523.68   1.311    715
        520.39   1.303    484
        373.90   0.936     33
        373.66   0.935     33
        365.84   0.916    426
        364.01   0.911    396
        358.89   0.899   1000
        357.06   0.894    893
        351.68   0.880    404
        350.10   0.877    313
    

in CDCl3



liquid film