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110-54-3

正己烷(110-54-3)核磁图(13CNMR)

产品名称:正己烷

CAS:110-54-3

分子式:C6H14

分子量: 86.18

InChI:InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N

Smiles:CCCCCC

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    Mass

    MS2014-05105CW      
    hexane
    C6H14               (Mass of molecular ion:     86)
    

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

          26.0       1.3
          27.0      16.5
          28.0      20.3
          29.0      23.1
          32.0       5.6
          38.0       1.0
          39.0      14.5
          40.0       2.9
          41.0      56.8
          42.0      25.9
          43.0      54.4
          44.0       2.0
          51.0       1.3
          53.0       2.3
          55.0       7.9
          56.0      47.0
          57.0     100.0
          58.0       4.4
          69.0       1.2
          70.0       1.1
          71.0       7.3
          86.0      22.4
          87.0       1.5
    

in DMSO-d6

in CD3CN

in CD3OD

in CDCl3

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H14 0.04 ml : 0.5 ml CDCl3
    hexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.29 B 1.27 C 0.89 J(A,C) = 6.9 HZ.

         Hz     ppm     Int.
    

        127.63   1.426     35
        125.44   1.401     59
        125.31   1.400     59
        122.63   1.370     67
        121.75   1.360     65
        113.00   1.262   1000
        107.81   1.204    155
        107.44   1.200    154
        102.38   1.144     71
        101.56   1.134     68
        100.63   1.124     71
         97.31   1.087     51
         95.88   1.071     52
         94.69   1.058     45
         91.81   1.026     63
         83.44   0.932    342
         82.13   0.918    257
         80.31   0.897    462
         79.19   0.885    790
         75.44   0.843    199
         74.19   0.829    323
         66.63   0.744     49
    

in CDCl3

in CD3CN

in CD3OD

in DMSO-d6

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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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