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1,8-二甲基萘

产品名称 1,8-二甲基萘

CAS号569-41-5

分子式C12H12

分子量156.22

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  • Mass

    MS-NW-6299          
    1,8-dimethylnaphthalene
    C12H12              (Mass of molecular ion:    156)
    

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

          27.0       1.1
          39.0       2.8
          50.0       1.7
          51.0       4.1
          57.5       1.2
          62.0       1.5
          63.0       5.3
          64.0       3.6
          65.0       1.2
          70.5       1.9
          74.0       1.6
          75.0       2.3
          75.5       1.7
          76.0       8.5
          76.5       2.9
          77.0       8.0
          77.5       1.0
          78.0       2.8
          87.0       1.1
          89.0       1.5
         102.0       1.1
         115.0      10.1
         116.0       1.2
         126.0       1.2
         127.0       3.8
         128.0       5.9
         129.0       3.2
         139.0       4.7
         140.0       1.3
         141.0      52.1
         142.0       6.8
         150.0       1.1
         151.0       3.1
         152.0       9.6
         153.0      13.6
         154.0       5.7
         155.0      24.0
         156.0     100.0
         157.0      12.8
    

parameter in CCl4

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C12 H12 in CCl4
    1,8-dimethylnaphthalene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.128 D(B) 7.182 D(C) 7.543 J(A,B) 7.0 J(A,C) 1.8 J(B,C) 8.0 D(D) 2.907 BARTLE,K.D. & JONES,D.W. J.MOL.SPECTROSC. 32, 353 (1969)

         Hz     ppm     Int.
    

       2267.97   7.560     79
       2265.96   7.553     81
       2260.19   7.534     91
       2258.18   7.527     94
       2162.56   7.209     60
       2155.57   7.185    128
       2147.83   7.159    116
       2142.15   7.140    119
       2140.14   7.134    124
       2135.16   7.117     57
       2133.15   7.110     47
        872.11   2.907   1000
    


  • 1H NMR 399.65 MHz
    C12 H12 17.9 mg : 0.5 ml CDCl3
    1,8-dimethylnaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.657 B 7.277 C 7.238 D 2.923

         Hz     ppm     Int.
    

       3065.55   7.671     99
       3064.45   7.668    109
       3057.86   7.652    109
       3056.40   7.648    122
       2917.11   7.300     98
       2910.03   7.282    203
       2902.22   7.262    197
       2899.54   7.256     28
       2895.26   7.245    153
       2894.53   7.243    158
       2888.43   7.228     73
       2887.70   7.226     71
       1168.21   2.924   1000
    


  • 1H NMR 89.56 MHz
    C12 H12 0.049 g : 0.5 ml CDCl3
    1,8-dimethylnaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.63 B 7.25 C 7.22 D 2.904

         Hz     ppm     Int.
    

        689.50   7.699     48
        686.06   7.661     83
        682.94   7.626     44
        679.75   7.590     85
        658.69   7.355     53
        651.69   7.277    258
        649.19   7.249    117
        645.50   7.208    386
        642.88   7.179     28
        642.44   7.174     29
        641.75   7.166     27
        260.19   2.906   1000
    

in CDCl3



KBr disc



nujol mull





CATION RADICAL, OXIDATION WITH SBCL5