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3,5,5-三甲基-1-己醇

产品名称 3,5,5-三甲基-1-己醇

CAS号3452-97-9

分子式C9H20O

分子量144.25

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  • Mass

    MS-NW-5394          
    3,5,5-trimethyl-1-hexanol
    C9H20O              (Mass of molecular ion:    144)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       6.6
          28.0       1.5
          29.0      14.2
          31.0       6.3
          39.0       6.5
          40.0       1.3
          41.0      31.7
          42.0       5.2
          43.0      18.1
          45.0       1.6
          53.0       1.7
          55.0      20.5
          56.0      29.9
          57.0     100.0
          58.0       4.9
          67.0       1.1
          68.0       1.0
          69.0      28.9
          70.0       9.1
          71.0       7.3
          83.0       6.8
          84.0       1.1
          85.0       3.0
          86.0       1.6
          87.0       7.4
          98.0       1.1
         111.0       6.1
         129.0       4.1
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H20 O 0.04 ml : 0.5 ml CDCl3
    3,5,5-trimethyl-1-hexanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.66 B 1.78 to 1.05 C 1.41 D 0.91 E 0.900

         Hz     ppm     Int.
    

        334.56   3.736     38
        327.81   3.661     62
        321.19   3.587     36
        140.75   1.572     23
        134.19   1.499     32
        126.19   1.409    230
        107.88   1.205     27
        104.25   1.165     30
        103.63   1.158     34
         97.81   1.093     23
         87.38   0.976     87
         82.44   0.921     31
         80.56   0.900   1000
    


  • 1H NMR 399.65 MHz
    C9 H20 O 0.05 ml : 0.5 ml CDCl3
    3,5,5-trimethyl-1-hexanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.64 B 2.27 C *1 1.63 D *1 1.58 E 1.41 F *2 1.226 G *2 1.079 J 0.937 K 0.899 J(E,F)=3.4HZ. J(E,G)=6.2HZ. J(F,G)=13.9HZ. J(E,J)=6.6HZ. J(A,B)=4.1HZ.

         Hz     ppm     Int.
    

       1455.32   3.642     45
       1451.42   3.632     47
        905.15   2.265     48
        641.85   1.607     31
        638.79   1.599     42
        632.93   1.584     34
        626.10   1.567     40
        570.19   1.427     36
        563.96   1.412     40
        563.11   1.410     31
        499.88   1.251     37
        496.46   1.243     36
        485.96   1.216     58
        482.54   1.208     56
        439.94   1.101     62
        433.72   1.086     56
        426.03   1.067     42
        419.80   1.051     44
        377.81   0.946    287
        371.22   0.929    282
        368.65   0.923     42
        359.25   0.899   1000
    

in CDCl3



liquid film



4880 A,200 M,liquid