592-41-6

1-己烯(592-41-6)質譜(MS)

產品名稱: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

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

¹H NMR	89.56 MHz
C₆ H₁₂	0.02 ml : 0.5 ml CDCl₃
1-hexene

    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