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返回ChemicalBook首页>CAS数据库列表>638-04-0更多图谱> 顺-1,3-二甲基环己烷(638-04-0)红外图谱(IR2)

638-04-0

顺-1,3-二甲基环己烷(638-04-0)红外图谱(IR2)

分子式:C8H16

分子量: 112.21

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

InChIKey: SGVUHPSBDNVHKL-OCAPTIKFNA-N

Smiles:[C@@H]1(C)CCC[C@H](C)C1 |&1:0,5,r|

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    Mass

    MS-NW-4269          
    cis-1,3-dimethylcyclohexane
    C8H16               (Mass of molecular ion:    112)
    

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

          27.0       9.2
          28.0       1.7
          29.0       8.9
          39.0      11.0
          40.0       2.1
          41.0      28.8
          42.0      15.6
          43.0      11.6
          51.0       1.0
          53.0       3.5
          54.0       1.9
          55.0      91.7
          56.0      21.7
          57.0       4.5
          58.0       1.1
          67.0       3.5
          68.0       2.4
          69.0      20.9
          70.0      10.4
          71.0       2.6
          81.0       1.9
          82.0       1.4
          83.0       6.4
          84.0       3.4
          85.0       1.2
          95.0       1.3
          96.0       2.9
          97.0     100.0
          98.0       8.1
         111.0       1.5
         112.0      24.5
         113.0       2.3
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H16 0.05 ml : 0.5 ml CDCl3
    cis-1,3-dimethylcyclohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.69 B 1.65 C 1.63 D 1.34 E 1.250 F 0.861 G 0.770 J 0.540

         Hz     ppm     Int.
    

        683.84   1.712     39
        680.54   1.703     57
        677.37   1.695     49
        673.95   1.687     36
        670.90   1.679     50
        667.85   1.672     78
        664.55   1.663     76
        661.62   1.656    103
        660.64   1.654    106
        658.81   1.649    121
        656.62   1.643    137
        655.03   1.640    143
        651.73   1.631     85
        649.78   1.626     70
        645.87   1.617    133
        643.31   1.610    154
        641.97   1.607    141
        553.10   1.384     39
        550.05   1.377     44
        547.97   1.372     41
        546.63   1.368     54
        544.80   1.364     62
        541.63   1.356     80
        538.21   1.347     82
        535.03   1.339     84
        533.33   1.335     57
        531.62   1.331     66
        529.91   1.326     60
        528.56   1.323     49
        526.61   1.318     54
        523.32   1.310     50
        522.09   1.307     35
        520.02   1.302     40
        518.43   1.298     38
        508.79   1.274     44
        505.25   1.265     71
        501.71   1.256     40
        495.73   1.241     42
        492.19   1.232     70
        488.77   1.223     44
        479.37   1.200     33
        347.41   0.870   1000
        340.70   0.853    935
        329.71   0.825     33
        327.27   0.819     55
        324.34   0.812     63
        314.94   0.789    119
        311.65   0.780    107
        303.10   0.759     97
        302.00   0.756     88
        299.56   0.750    104
        289.92   0.726     41
        286.25   0.717     40
        233.40   0.585     46
        221.80   0.555    101
        208.86   0.523     87
        197.14   0.494     39
    

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    1H NMR 89.56 MHz
    C8 H16 0.04 ml : 0.5 ml CDCl3
    cis-1,3-dimethylcyclohexane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.8 to 1.45 B 1.4 to 1.15 C 0.865 D 1.09 to 0.40

         Hz     ppm     Int.
    

        152.44   1.703    134
        138.69   1.549    140
         83.13   0.929     98
         79.88   0.892   1000
         73.81   0.825    654
         69.88   0.781     69
         51.75   0.578     62
         40.94   0.458     42
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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