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1632-16-2

2-乙基-1-己烯(1632-16-2)核磁图(13CNMR)

产品名称:2-乙基-1-己烯

CAS:1632-16-2

分子式:C8H16

分子量: 112.21

InChI:InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3

InChIKey: XTVRLCUJHGUXCP-UHFFFAOYSA-N

Smiles:CCC(=C)CCCC

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    Mass

    MS-NW-4271          
    2-ethyl-1-hexene
    C8H16               (Mass of molecular ion:    112)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0      15.1
          28.0       1.8
          29.0      13.2
          39.0      12.8
          40.0       2.7
          41.0      47.5
          42.0      26.5
          43.0      12.7
          51.0       1.5
          53.0       5.5
          54.0       4.0
          55.0      91.5
          56.0      11.5
          57.0       2.8
          67.0       4.1
          68.0       1.0
          69.0       8.3
          70.0     100.0
          71.0       8.3
          83.0       7.3
          84.0       2.3
         112.0      11.7
         113.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H16 0.04 ml : 0.5 ml CDCl3
    2-ethyl-1-hexene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.69 B 2.20 to 1.85 C 1.63 to 1.15 D 1.02 E 0.92

         Hz     ppm     Int.
    

        422.13   4.714    152
        421.00   4.701    432
        419.94   4.689    615
        418.81   4.677    407
        417.88   4.666    158
        184.81   2.064    250
        181.31   2.025    170
        181.00   2.021    167
        180.13   2.012    159
        178.44   1.993    243
        177.56   1.983    269
        177.25   1.980    268
        174.69   1.951    136
        171.81   1.919     78
        170.56   1.905    101
        131.00   1.463     95
        129.44   1.446     89
        128.38   1.434    129
        127.88   1.428    130
        127.44   1.423    131
        127.00   1.419    134
        123.50   1.379    288
        121.81   1.361    166
        120.19   1.343    205
        119.81   1.338    208
        119.00   1.329    155
        117.75   1.315    160
        116.19   1.298    206
        115.31   1.288    106
        114.19   1.276    114
        111.88   1.250     83
         98.69   1.102    445
         91.56   1.023   1000
         89.31   0.998    110
         87.50   0.977    224
         83.88   0.937    392
         81.13   0.906    495
         78.44   0.876    128
         76.50   0.855     82
         75.63   0.845     82
    

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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