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935-95-5

2,3,5,6-四氯酚(935-95-5)质谱(MS)

产品名称:2,3,5,6-四氯酚

CAS:935-95-5

分子式:C6H2Cl4O

分子量: 231.89

InChI:InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

InChIKey: KEWNKZNZRIAIAK-UHFFFAOYSA-N

Smiles:C1(O)=C(Cl)C(Cl)=CC(Cl)=C1Cl

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    Mass

    MS-NW-8744          
    2,3,5,6-tetrachlorophenol
    C6H2Cl4O            (Mass of molecular ion:    230)
    

       Source Temperature: 270 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          18.0       1.6
          36.0       3.0
          37.0       2.5
          47.0       1.2
          48.0       3.3
          49.0       2.1
          60.0       3.1
          61.0       8.1
          62.0       3.8
          65.0       9.0
          65.5       1.9
          66.0       6.2
          66.5       1.2
          67.0       1.2
          71.0       1.4
          72.0       2.4
          73.0       2.6
          83.0       8.8
          84.0       7.5
          85.0       3.3
          87.0       3.9
          89.0       1.5
          95.0       2.9
          96.0       9.2
          97.0       7.6
          98.0       5.7
          99.0       2.3
         107.0       5.4
         108.0       1.8
         109.0       3.4
         115.0       3.2
         116.0       4.0
         117.0       2.2
         124.0       1.4
         130.0       1.1
         131.0      25.9
         132.0       2.5
         133.0      16.8
         134.0       1.2
         135.0       2.8
         143.0       1.1
         166.0      19.4
         167.0       5.4
         168.0      18.8
         169.0       5.0
         170.0       6.2
         171.0       1.6
         194.0      19.3
         195.0       1.5
         196.0      18.9
         197.0       1.3
         198.0       6.2
         201.0       1.6
         203.0       2.0
         205.0       1.0
         230.0      77.9
         231.0       5.4
         232.0     100.0
         233.0       6.6
         234.0      47.9
         235.0       3.2
         236.0      10.5
         310.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H2 Cl4 O 0.039 g : 0.5 ml CDCl3
    2,3,5,6-tetrachlorophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.214 B 5.95

         Hz     ppm     Int.
    

       2883.30   7.215   1000
       2376.95   5.948     80
    

in CDCl3

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KBr disc

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nujol mull

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