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2207-01-4

顺-1,2-二甲基环己烷(2207-01-4)红外图谱(IR1)

分子式:C8H16

分子量: 112.21

InChI:InChI=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

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

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CCl4 solution

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liquid film

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