METHYLENECYCLOHEXANE(1192-37-6) MS

Product NameMETHYLENECYCLOHEXANE

CAS 1192-37-6

Molecular FormulaC7H12

Molecular Weight96.17

InChIInChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2

InChIKey YULMNMJFAZWLLN-UHFFFAOYSA-N

SmilesC1(=C)CCCCC1

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Mass

MS-NW-3425          
methylenecyclohexane
C7H12               (Mass of molecular ion:     96)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.3
      26.0       2.2
      27.0      17.4
      28.0       3.0
      29.0       8.0
      37.0       1.2
      38.0       3.1
      39.0      35.0
      40.0       9.4
      41.0      23.6
      42.0       4.5
      50.0       3.0
      51.0       5.6
      52.0       3.2
      53.0      21.5
      54.0      47.0
      55.0      41.1
      56.0       3.1
      62.0       1.0
      63.0       1.9
      65.0       4.9
      66.0       6.7
      67.0      74.4
      68.0      53.0
      69.0       3.2
      77.0       4.8
      78.0       1.2
      79.0      10.3
      80.0       1.9
      81.0     100.0
      82.0       6.6
      83.0       1.3
      91.0       1.7
      93.0       1.1
      95.0       8.5
      96.0      46.3
      97.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₂	0.04 ml : 0.5 ml CDCl₃
methylenecyclohexane

    Assign.     Shift(ppm)

      A             4.574
      B             2.11
      C          1.78 to 1.30

     Hz     ppm     Int.

    410.63   4.585    534
    409.75   4.576    767
    408.81   4.565    556
    407.94   4.555    186
    195.13   2.179    160
    190.13   2.123    327
    186.06   2.078    225
    185.38   2.070    225
    148.56   1.659     35
    148.25   1.656     36
    143.69   1.605    147
    141.13   1.576    286
    137.44   1.535   1000
    135.69   1.516    523
    133.75   1.494    302
    133.31   1.489    295
    126.50   1.413     33
    123.31   1.377     30

in CDCl3