CIS-1,2-DIMETHYLCYCLOHEXANE(2207-01-4) Raman

Product NameCIS-1,2-DIMETHYLCYCLOHEXANE

CAS 2207-01-4

Molecular FormulaC8H16

Molecular Weight112.21

InChIInChI=1/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+

InChIKey KVZJLSYJROEPSQ-OCAPTIKFNA-N

Smiles[C@@H]1(C)CCCC[C@@H]1C |&1:0,6,r|

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Mass

MS-NW-1104          
cis-1,2-dimethylcyclohexane
C8H16               (Mass of molecular ion:    112)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.0
      27.0      15.1
      29.0      14.5
      39.0      17.1
      40.0       2.8
      41.0      46.2
      42.0      27.6
      43.0      13.5
      44.0       1.1
      51.0       1.8
      53.0       5.9
      54.0       3.5
      55.0     100.0
      56.0      35.5
      57.0       9.5
      65.0       1.1
      67.0       6.0
      68.0       6.4
      69.0      26.9
      70.0      39.7
      71.0       4.4
      77.0       1.1
      79.0       1.0
      81.0       1.3
      82.0      10.8
      83.0      41.9
      84.0      11.9
      96.0       1.5
      97.0      70.0
      98.0       5.5
     112.0      32.0
     113.0       3.1

90 MHz in CDCl3

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

    Assign.     Shift(ppm)

      A          1.88 to 1.46
      B          1.46 to 1.15
      C             0.83
     
     J(A,C)=6.6HZ.

     Hz     ppm     Int.

    123.88   1.384    358
    118.19   1.320    165
     76.63   0.856   1000
     72.75   0.813     97
     72.44   0.809     98
     70.06   0.783    718
     67.94   0.759     96

in CDCl3

CCl4 solution

liquid film

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