13389-42-9

反-2-辛烯(13389-42-9)核磁圖(¹HNMR)

產(chǎn)品名稱:反-2-辛烯

CAS:13389-42-9

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-HWKANZROSA-N

Smiles:C/C=C/CCCCC

Mass

MS-NW-3487          
trans-2-octene
C8H16               (Mass of molecular ion:    112)

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

      26.0       1.4
      27.0      17.9
      28.0       3.8
      29.0      32.9
      38.0       1.1
      39.0      18.6
      40.0       3.4
      41.0      64.0
      42.0      34.4
      43.0      11.3
      50.0       1.1
      51.0       2.3
      52.0       1.0
      53.0       7.7
      54.0       9.2
      55.0     100.0
      56.0      52.3
      57.0      21.3
      65.0       1.0
      67.0       4.9
      68.0       4.3
      69.0      28.9
      70.0      42.7
      71.0       4.5
      82.0       1.7
      83.0      16.5
      84.0       7.3
      97.0       1.6
     112.0      28.3
     113.0       2.9

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A          5.47 to 5.34
      B             1.95
      C             1.633
      D          1.52 to 1.06
      E             0.883

     Hz     ppm     Int.

    490.63   5.479    100
    489.88   5.470    153
    488.75   5.458    287
    487.81   5.447    186
    485.75   5.424    608
    484.81   5.414    229
    483.75   5.402    468
    482.88   5.392    398
    480.75   5.368    378
    478.38   5.342    165
    468.19   5.228     33
    183.88   2.054     55
    176.94   1.976    182
    174.25   1.946    168
    173.63   1.939    169
    173.06   1.933    169
    172.50   1.927    170
    167.00   1.865     72
    165.88   1.853     75
    163.88   1.830     32
    163.31   1.824     37
    162.06   1.810     44
    149.94   1.675    461
    148.69   1.661    857
    147.94   1.652    484
    147.44   1.647    575
    146.69   1.638    564
    146.00   1.631    452
    145.31   1.623    696
    144.00   1.608    895
    142.75   1.594    401
    140.69   1.571     44
    133.75   1.494     40
    132.44   1.479     36
    131.81   1.472     35
    130.56   1.458     49
    126.81   1.416    135
    126.00   1.407    123
    122.75   1.371    191
    117.31   1.310    724
    115.69   1.292    780
    114.81   1.282    731
    112.81   1.260    948
    109.50   1.223    232
    107.44   1.200    160
    107.06   1.196    161
    104.75   1.170     97
    101.06   1.129     56
    100.75   1.125     55
     98.50   1.100     46
     97.00   1.084     34
     95.69   1.069     30
     92.13   1.029     39
     89.25   0.997     31
     86.31   0.964    158
     84.44   0.943    249
     82.50   0.922    199
     81.56   0.911    206
     79.13   0.884   1000
     74.88   0.837    131
     74.56   0.833    131
     73.13   0.817    183
     72.00   0.804    190
     69.00   0.771     79
     66.81   0.746     35
     66.50   0.743     35

in CDCl3