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592-41-6

1-己烯(592-41-6)核磁图(1HNMR)

产品名称:1-己烯

CAS:592-41-6

分子式:C6H12

分子量: 84.16

InChI:InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

InChIKey: LIKMAJRDDDTEIG-UHFFFAOYSA-N

Smiles:C=CCCCC

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    Mass

    MS-NW-9192          
    1-hexene
    C6H12               (Mass of molecular ion:     84)
    

       Source Temperature: 250 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       2.1
          27.0      32.2
          28.0       6.8
          29.0      18.6
          38.0       2.4
          39.0      30.9
          40.0       6.1
          41.0      95.1
          42.0      72.2
          43.0      58.8
          44.0       2.0
          50.0       2.0
          51.0       2.9
          52.0       1.2
          53.0       6.8
          54.0       5.2
          55.0      64.2
          56.0     100.0
          57.0       6.1
          67.0       2.1
          69.0      24.0
          70.0       1.4
          84.0      29.2
          85.0       2.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 0.02 ml : 0.5 ml CDCl3
    1-hexene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.80 B 4.96 C 4.92 D 2.06 E 1.50 to 1.07 F 0.90

         Hz     ppm     Int.
    

        542.19   6.054     80
        535.63   5.981    156
        532.19   5.943     87
        529.25   5.910     82
        525.75   5.871    204
        525.06   5.863    138
        519.19   5.798    131
        518.44   5.789    235
        515.13   5.752    144
        511.94   5.717    130
        508.56   5.679    283
        502.13   5.607    154
        457.69   5.111    120
        456.25   5.095    271
        455.31   5.084    274
        454.75   5.078    209
        453.88   5.068    446
        452.38   5.052    222
        448.13   5.004    212
        446.94   4.991    384
        445.75   4.978    293
        444.56   4.964    202
        443.38   4.951    102
        440.50   4.919     80
        439.00   4.902    171
        438.25   4.894    286
        437.00   4.880    505
        435.75   4.866    311
        435.25   4.860    239
        434.69   4.854    148
        187.25   2.091    265
        180.56   2.017    282
        129.88   1.451    213
        122.63   1.370    687
        119.31   1.333    508
        115.19   1.287    578
         87.00   0.972    371
         80.50   0.899   1000
         76.19   0.851    211
    

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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