7642-04-8

顺式-2-辛烯(7642-04-8)质谱(MS)

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

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

¹H NMR	89.56 MHz
C₈ H₁₆	0.04 ml : 0.5 ml CDCl₃
cis-2-octene

    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