931-88-4

環(huán)辛烯(931-88-4)質(zhì)譜(MS)

產(chǎn)品名稱:環(huán)辛烯

CAS:931-88-4

分子式:C8H14

分子量: 110.2

InChI:InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1-

InChIKey: URYYVOIYTNXXBN-UPHRSURJSA-N

Smiles:C1CCCCCCC=1 |c:7|

Mass

MS-NW-3728          
cyclooctene
C8H14               (Mass of molecular ion:    110)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       1.6
      27.0      18.7
      28.0       4.7
      29.0       8.8
      38.0       1.8
      39.0      31.3
      40.0       6.2
      41.0      65.0
      42.0       7.0
      43.0       4.5
      50.0       2.3
      51.0       4.7
      52.0       2.9
      53.0      15.4
      54.0      83.7
      55.0      24.3
      56.0      11.3
      57.0       1.0
      63.0       1.2
      65.0       4.3
      66.0       5.2
      67.0     100.0
      68.0      39.7
      69.0      17.5
      70.0       3.1
      77.0       3.9
      78.0       1.2
      79.0       6.3
      80.0       3.6
      81.0      46.3
      82.0      63.8
      83.0       6.2
      84.0       1.5
      91.0       2.4
      95.0      17.6
      96.0       1.6
     110.0      35.0
     111.0       3.3
     112.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄	0.04 ml : 0.5 ml CDCl₃
cyclooctene

    Assign.     Shift(ppm)

      A             5.615
      B             2.14
      C             1.49

     Hz     ppm     Int.

    518.56   5.791     36
    510.19   5.697    102
    508.25   5.675    213
    505.00   5.639    151
    503.06   5.618    391
    501.13   5.596    157
    497.88   5.560    223
    495.88   5.537    115
    487.50   5.444     42
    193.25   2.158    164
    192.00   2.144    163
    191.44   2.138    162
    190.63   2.129    161
    189.94   2.121    163
    146.44   1.636     42
    133.50   1.491   1000
    124.63   1.392     46
    123.81   1.383     46
    121.81   1.361     31
    121.31   1.355     33
    120.81   1.349     33

in CDCl3