111-78-4

1,5-Cyclooctadiene(111-78-4) MS

Product Name1,5-Cyclooctadiene

CAS 111-78-4

Molecular FormulaC8H12

Molecular Weight108.18

InChIInChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7-

InChIKey VYXHVRARDIDEHS-QGTKBVGQSA-N

SmilesC1CCC=CCCC=1 |c:3,7|

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1,5-Cyclooctadiene(111-78-4) MS
Mass

MS-NW-0886          
1,5-cyclooctadiene
C8H12               (Mass of molecular ion:    108)

   Source Temperature: 290 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.1
      26.0       1.8
      27.0      16.4
      28.0       6.1
      29.0       2.5
      38.0       2.2
      39.0      42.3
      40.0       3.8
      41.0      20.2
      42.0       1.1
      50.0       4.0
      51.0       8.0
      52.0       4.4
      53.0      11.8
      54.0     100.0
      55.0       6.1
      63.0       2.1
      65.0       8.1
      66.0      13.7
      67.0      84.9
      68.0       5.3
      77.0      12.3
      78.0       5.1
      79.0      34.4
      80.0      42.0
      81.0       3.5
      91.0       8.4
      92.0       1.0
      93.0      12.5
      94.0       1.0
     107.0       1.4
     108.0       4.4

90 MHz in CDCl3

1,5-Cyclooctadiene(111-78-4) MS

¹H NMR	89.56 MHz
C₈ H₁₂	0.04 ml : 0.5 ml CDCl₃
1,5-cyclooctadiene

    Assign.     Shift(ppm)

      A             5.58
      B             2.36

     Hz     ppm     Int.

    502.56   5.612    205
    499.31   5.576    392
    496.25   5.541    225
    224.19   2.504     48
    223.94   2.501     48
    223.81   2.499     48
    223.38   2.495     49
    222.06   2.480     45
    220.75   2.465     34
    220.19   2.459     34
    220.00   2.457     34
    219.00   2.446     40
    214.06   2.391    783
    212.81   2.377    855
    211.63   2.363   1000
    210.44   2.350    855
    209.13   2.336    771
    198.75   2.220     34
    197.63   2.207     31

in CDCl3