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Back ChemicalBook Home>CAS DataBase List>4050-45-7More Spectrum> CIS-2-HEXENE(4050-45-7) MS

CIS-2-HEXENE(4050-45-7) MS

Product NameCIS-2-HEXENE

CAS4050-45-7

Molecular FormulaC6H12

Molecular Weight84.16

InChIInChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+

InChIKey RYPKRALMXUUNKS-HWKANZROSA-N

SmilesC/C=C/CCC


  • Mass

    MS-NW-3701          
    trans-2-hexene
    C6H12               (Mass of molecular ion:     84)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.1
          26.0       2.0
          27.0      17.9
          28.0       2.9
          29.0      21.3
          38.0       1.6
          39.0      18.9
          40.0       3.4
          41.0      36.8
          42.0      45.2
          43.0      12.0
          50.0       1.7
          51.0       2.3
          52.0       1.0
          53.0       6.9
          54.0       7.0
          55.0     100.0
          56.0      23.3
          57.0       1.2
          67.0       2.9
          69.0      19.5
          70.0       1.2
          84.0      34.3
          85.0       2.5
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H12 0.05 ml : 0.5 ml CDCl3
    trans-2-hexene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.45 B 5.42 C 1.95 D 1.643 E 1.360 F 0.885 90MHZ:HSP-03-545

         Hz     ppm     Int.
    

       2170.41   5.431     91
       2168.82   5.427    200
       2167.36   5.424    134
       2165.41   5.419    372
       2163.70   5.414    252
       2162.48   5.411    260
       2161.13   5.408    139
       2160.40   5.406    212
       2158.69   5.402     56
       2157.59   5.399    100
        789.67   1.976     31
        788.33   1.973     58
        786.99   1.970     93
        785.16   1.965     65
        784.06   1.962     74
        782.96   1.960     79
        781.49   1.956    115
        779.79   1.952    159
        777.95   1.947    122
        776.98   1.945    114
        776.00   1.942    122
        774.90   1.939    131
        773.56   1.936    116
        772.34   1.933    113
        769.78   1.927     78
        768.31   1.923     67
        767.09   1.920     77
        765.99   1.917     37
        662.96   1.659     33
        659.67   1.651    352
        658.33   1.648    523
        657.10   1.645    383
        654.91   1.639    439
        653.56   1.636    521
        652.22   1.632    278
        648.56   1.623     33
        561.65   1.406     57
        554.20   1.387    196
        546.75   1.369    310
        539.43   1.350    313
        532.10   1.332    203
        524.90   1.314     63
        360.47   0.902    587
        353.15   0.884   1000
        345.70   0.866    492
    


  • 1H NMR 89.56 MHz
    C6 H12 0.04 ml : 0.5 ml CDCl3
    trans-2-hexene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.44 B 5.37 C 1.93 D 1.64 E 1.37 F 0.89

         Hz     ppm     Int.
    

        490.56   5.478    124
        489.13   5.462    213
        486.31   5.430    440
        484.06   5.405    429
        483.50   5.399    371
        481.31   5.375    309
        479.06   5.350    157
        184.38   2.059     50
        183.44   2.049     85
        180.19   2.012     81
        179.44   2.004     84
        177.00   1.977    151
        174.06   1.944    147
        172.88   1.931    149
        171.44   1.915    131
        170.38   1.903    151
        168.25   1.879    125
        167.56   1.871    122
        165.94   1.853     70
        164.56   1.838    105
        162.69   1.817     66
        150.50   1.681    359
        149.25   1.667    733
        148.00   1.653    515
        147.00   1.642    468
        145.81   1.629    546
        144.56   1.615    744
        143.88   1.607    267
        143.25   1.600    348
        141.25   1.578     43
        140.31   1.567     67
        139.63   1.560     71
        135.00   1.508     43
        133.69   1.493     88
        132.31   1.478    245
        131.13   1.465     76
        126.88   1.417    136
        125.56   1.402    202
        124.50   1.391    196
        120.19   1.343     92
        119.06   1.330    186
        117.50   1.312    322
        115.75   1.293     42
        112.94   1.262     80
        111.63   1.247    103
        110.81   1.238    213
        104.94   1.172     65
        104.19   1.164     74
         86.56   0.967    353
         85.69   0.957    598
         84.81   0.947    415
         79.00   0.883   1000
         72.56   0.811    164
         71.50   0.799    302
         69.81   0.780    150
    

in CDCl3



liquid film





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