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2,4,6-三甲基氯苄

产品名称 2,4,6-三甲基氯苄

CAS号1585-16-6

分子式C10H13Cl

分子量168.66

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  • Mass

    MS-NW-7418          
    2,4,6-trimethylbenzyl chloride
    C10H13Cl            (Mass of molecular ion:    168)
    

       Source Temperature: 220 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       1.3
          39.0       3.7
          41.0       2.5
          50.0       1.1
          51.0       3.4
          52.0       1.1
          53.0       1.6
          57.5       1.0
          63.0       2.0
          64.0       3.2
          64.5       1.1
          65.0       3.4
          77.0       3.8
          78.0       1.2
          79.0       1.4
          91.0       7.7
         103.0       1.7
         105.0       4.7
         115.0       6.1
         116.0       2.7
         117.0       6.8
         118.0       3.3
         119.0       1.6
         131.0       2.1
         132.0       3.0
         133.0     100.0
         134.0      11.3
         168.0      17.2
         169.0       2.1
         170.0       5.7
    

parameter in CDCl3

400 MHz in CDCl3


  • 1H NMR 300 MHz
    C10 H13 Cl 0.047 g : 0.5 ml CDCl3
    2,4,6-trimethylbenzyl chloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.852 D(B) 4.633 D(C) 2.376 D(D) 2.251

         Hz     ppm     Int.
    

       2055.61   6.852    209
       1389.91   4.633    407
        712.78   2.376   1000
        675.34   2.251    441
    


  • 1H NMR 399.65 MHz
    C10H13Cl 0.038 g : 0.5 ml CDCl3
    2,4,6-trimethylbenzyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.857 B 4.637 C 2.381 D 2.256

         Hz     ppm     Int.
    

       2740.97   6.857    248
       2692.39   6.735      5
       1928.11   4.823      4
       1853.76   4.637    492
       1014.04   2.537      9
        975.47   2.440     10
        951.42   2.380   1000
        925.54   2.316      6
        901.62   2.256    517
        887.33   2.220     12
        837.77   2.096      9
    

in CDCl3



KBr disc



4880 A,200 M,powder