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7642-04-8

顺式-2-辛烯(7642-04-8)红外图谱(IR2)

产品名称:顺式-2-辛烯

CAS:7642-04-8

分子式:C8H16

分子量: 112.21

InChI:InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3-

InChIKey: ILPBINAXDRFYPL-HYXAFXHYSA-N

Smiles:C/C=C\CCCCC

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    Mass

    MS-NW-1295          
    cis-2-octene
    C8H16               (Mass of molecular ion:    112)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       2.0
          15.0       1.2
          18.0       1.3
          26.0       1.3
          27.0      24.7
          28.0       4.0
          29.0      45.0
          30.0       1.0
          38.0       1.2
          39.0      22.4
          40.0       3.7
          41.0      80.7
          42.0      44.0
          43.0      14.9
          50.0       1.0
          51.0       2.1
          52.0       1.1
          53.0       7.9
          54.0       8.4
          55.0     100.0
          56.0      63.4
          57.0      25.2
          58.0       1.2
          65.0       1.0
          67.0       5.6
          68.0       5.2
          69.0      33.6
          70.0      56.0
          71.0       6.3
          81.0       1.2
          82.0       2.6
          83.0      21.8
          84.0       9.6
          97.0       1.9
         112.0      36.4
         113.0       3.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H16 0.04 ml : 0.5 ml CDCl3
    cis-2-octene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.66 to 5.19 B 2.03 C 1.598 D 1.52 to 1.11 E 0.90

         Hz     ppm     Int.
    

        498.19   5.563     58
        492.63   5.501    105
        488.38   5.454    347
        487.50   5.444    307
        487.06   5.439    305
        484.13   5.406    388
        483.06   5.394    653
        482.19   5.384    195
        481.81   5.380    193
        478.81   5.347    213
        478.00   5.338    206
        473.38   5.286     54
        183.50   2.049    172
        178.75   1.996    197
        173.81   1.941    104
        148.94   1.664     62
        146.50   1.636    473
        145.69   1.627   1000
        144.75   1.617    755
        141.63   1.582    704
        140.75   1.572    822
        139.81   1.562    504
        139.00   1.553    292
        135.94   1.518     66
        134.75   1.505     66
        134.00   1.497     58
        133.69   1.493     57
        118.63   1.325    751
        117.13   1.308    791
        115.75   1.293    756
        114.13   1.275    828
         85.06   0.950    251
         79.63   0.890    865
         73.44   0.821    158
    

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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