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106-32-1

辛酸乙酯(106-32-1)核磁图(1HNMR)

产品名称:辛酸乙酯

CAS:106-32-1

分子式:C10H20O2

分子量: 172.26

InChI:InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3

InChIKey: YYZUSRORWSJGET-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCC

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    Mass

    MS-NW-0440          
    ethyl octanoate
    C10H20O2            (Mass of molecular ion:    172)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.4
          27.0       9.9
          28.0       3.4
          29.0      22.7
          39.0       4.5
          40.0       1.0
          41.0      17.7
          42.0       5.7
          43.0      16.7
          44.0       1.4
          45.0       9.2
          53.0       1.1
          55.0      12.5
          56.0       3.3
          57.0      28.6
          58.0       1.3
          59.0       1.5
          60.0      23.5
          61.0      17.3
          67.0       1.4
          69.0       5.1
          70.0      13.8
          71.0       1.3
          73.0      19.1
          74.0       3.1
          82.0       1.1
          83.0       3.9
          84.0       3.9
          87.0       3.9
          88.0     100.0
          89.0       7.2
          97.0       2.3
          98.0       3.0
         101.0      35.4
         102.0       3.2
         109.0       1.4
         115.0       7.2
         125.0       1.3
         127.0      26.6
         128.0       2.6
         129.0       6.9
         143.0       3.7
         145.0       1.7
         172.0       2.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H20 O2 0.04 ml : 0.5 ml CDCl3
    ethyl octanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.120 B 2.28 C 1.61 D 1.49 to 1.04 E 1.251 F 0.89 J(A,E)=7.1HZ.

         Hz     ppm     Int.
    

        380.06   4.244     86
        372.81   4.163    296
        365.69   4.084    312
        358.63   4.005    102
        212.75   2.376     51
        212.63   2.375     51
        211.56   2.363     52
        205.00   2.289    138
        198.00   2.211    103
        197.31   2.204    123
        152.38   1.702     35
        151.69   1.694     33
        150.50   1.681     31
        148.06   1.654     30
        145.00   1.620     44
        144.56   1.615     43
        143.94   1.608     43
        141.56   1.581     33
        141.19   1.577     33
        140.81   1.573     33
        140.38   1.568     33
        139.75   1.561     34
        139.13   1.554     34
        138.63   1.548     33
        138.25   1.544     33
        137.50   1.536     33
        136.75   1.527     33
        119.06   1.330    513
        115.00   1.285    385
        112.06   1.252   1000
        106.13   1.186     46
        104.81   1.171    359
         85.94   0.960     41
         84.19   0.941     69
         83.63   0.934     67
         83.06   0.928     62
         81.75   0.913     57
         80.94   0.904     58
         78.88   0.881    248
         72.88   0.814     48
         71.69   0.801     38
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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