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106-30-9

庚酸乙酯(106-30-9)核磁图(13CNMR)

产品名称:庚酸乙酯

CAS:106-30-9

分子式:C9H18O2

分子量: 158.24

InChI:InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3

InChIKey: TVQGDYNRXLTQAP-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCC

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    Mass

    MS-NW-0446          
    ethyl heptanoate
    C9H18O2             (Mass of molecular ion:    158)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.2
          18.0       1.0
          26.0       1.7
          27.0      19.3
          28.0       7.8
          29.0      37.8
          30.0       1.1
          31.0       1.4
          39.0       8.9
          40.0       1.8
          41.0      26.8
          42.0       6.5
          43.0      51.4
          44.0       1.8
          45.0      13.4
          53.0       2.0
          55.0      13.2
          56.0       5.0
          57.0       7.3
          59.0       1.6
          60.0      32.2
          61.0      21.1
          67.0       1.0
          68.0       2.1
          69.0       7.1
          70.0      16.5
          71.0       1.4
          73.0      21.1
          74.0       3.8
          83.0       3.5
          84.0       5.6
          85.0      10.4
          87.0       6.2
          88.0     100.0
          89.0       6.6
          95.0       1.3
         101.0      28.5
         102.0       3.2
         111.0       1.4
         113.0      35.4
         114.0       3.0
         115.0      12.7
         116.0       1.1
         129.0       2.7
         131.0       2.9
         158.0       2.3
    

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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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