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2,3,6-三氯苯酚

产品名称 2,3,6-三氯苯酚

CAS号933-75-5

分子式C6H3Cl3O

分子量197.45

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  • Mass

    MS-NW-6740          
    2,3,6-trichlorophenol
    C6H3Cl3O            (Mass of molecular ion:    196)
    

       Source Temperature: 180 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          35.0       1.2
          36.0       1.9
          37.0       4.4
          38.0       1.8
          47.0       1.5
          48.0      10.7
          48.5       1.7
          49.0       4.9
          50.0       1.3
          53.0       3.7
          60.0       2.5
          61.0       8.2
          62.0      10.1
          63.0       5.2
          66.0       8.3
          67.0       5.4
          71.0       1.4
          72.0       3.7
          73.0       6.8
          74.0       2.0
          75.0       2.0
          80.0       2.0
          81.0       1.2
          83.0       1.8
          84.0       1.2
          85.0       1.3
          87.0       2.2
          90.0       1.9
          96.0       3.7
          97.0      33.4
          98.0       6.9
          99.0      14.1
         100.0       2.2
         107.0       3.5
         108.0       1.1
         109.0       2.5
         125.0       2.8
         127.0       1.0
         131.0       1.0
         132.0      23.9
         133.0       7.4
         134.0      15.8
         135.0       4.6
         136.0       3.0
         160.0      24.5
         161.0       1.9
         162.0      15.9
         163.0       1.2
         164.0       2.7
         167.0       2.4
         169.0       2.4
         196.0     100.0
         197.0       7.2
         198.0      97.5
         199.0       6.5
         200.0      31.3
         201.0       2.2
         202.0       3.6
    

parameter in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C6 H3 Cl3 O 0.051 g : 0.5 ml CDCl3
    2,3,6-trichlorophenol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.183 D(B) 7.003 J(A,B) 8.72 D(C) 5.54

         Hz     ppm     Int.
    

       2159.61   7.199    726
       2150.91   7.170   1000
       2104.91   7.016   1000
       2096.20   6.987    726
       1662.00   5.540    150
    


  • 1H NMR 89.56 MHz
    C6 H3 Cl3 O 0.051 g : 0.5 ml CDCl3
    2,3,6-trichlorophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.183 B 7.003 C 5.5 J(A,B)=8.7HZ

         Hz     ppm     Int.
    

        649.38   7.251    426
        640.63   7.154    976
        629.75   7.032   1000
        621.00   6.934    411
        495.94   5.538     59
    

in CDCl3



KBr disc



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