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590-66-9

1,1-二甲基环己烷(590-66-9)红外图谱(IR1)

产品名称:1,1-二甲基环己烷

CAS:590-66-9

分子式:C8H16

分子量: 112.21

InChI:InChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3

InChIKey: QEGNUYASOUJEHD-UHFFFAOYSA-N

Smiles:C1(C)(C)CCCCC1

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    Mass

    MS-NW-5331          
    1,1-dimethylcyclohexane
    C8H16               (Mass of molecular ion:    112)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       9.0
          28.0       1.6
          29.0       8.3
          39.0      11.2
          40.0       2.2
          41.0      35.1
          42.0       5.3
          43.0      12.1
          51.0       1.4
          53.0       4.3
          54.0       1.5
          55.0      72.0
          56.0      40.9
          57.0      13.2
          67.0       3.8
          68.0       5.5
          69.0      49.3
          70.0      11.5
          81.0       1.4
          83.0       3.3
          84.0       5.4
          96.0       4.8
          97.0     100.0
          98.0       8.0
         112.0       4.2
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H16 0.04 ml : 0.5 ml CDCl3
    1,1-dimethylcyclohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.43 B 1.36 C 1.220 D 0.876

         Hz     ppm     Int.
    

        577.88   1.446     50
        573.24   1.435    102
        567.87   1.421     96
        562.26   1.407     66
        560.91   1.404     58
        551.27   1.380     41
        549.68   1.376     41
        546.39   1.368     55
        541.26   1.355     55
        493.77   1.236    103
        487.79   1.221    127
        481.81   1.206    119
        350.22   0.877   1000
        336.91   0.844     33
        331.91   0.831     21
    

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    1H NMR 89.56 MHz
    C8 H16 0.04 ml : 0.5 ml CDCl3
    1,1-dimethylcyclohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.59 to 1.04 B 0.876

         Hz     ppm     Int.
    

        123.31   1.377    131
        118.56   1.324     41
        117.31   1.310     39
        113.13   1.264     72
        111.31   1.243     67
        110.06   1.229     64
        108.69   1.214     60
        104.88   1.172     28
        103.63   1.158     29
         78.50   0.877   1000
    

in CDCl3

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liquid film

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