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120-83-2

2,4-二氯酚(120-83-2)红外图谱(IR1)

产品名称:2,4-二氯酚

CAS:120-83-2

分子式:C6H4Cl2O

分子量: 163

InChI:InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

InChIKey: HFZWRUODUSTPEG-UHFFFAOYSA-N

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

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    Mass

    MS-NW-8655          
    2,4-dichlorophenol
    C6H4Cl2O            (Mass of molecular ion:    162)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          18.0       1.0
          28.0       1.4
          31.0       2.4
          36.0       2.1
          37.0       3.8
          38.0       3.4
          39.0       2.3
          48.0       2.3
          49.0       7.2
          50.0       3.6
          53.0       4.2
          60.0       1.3
          61.0       4.9
          62.0       7.9
          63.0      45.6
          64.0       4.2
          72.0       2.6
          73.0       8.9
          74.0       2.8
          75.0       3.1
          81.0       4.2
          82.0       2.7
          83.0       1.3
          91.0       1.3
          97.0       2.4
          98.0      39.7
          99.0      12.6
         100.0      13.4
         101.0       3.9
         109.0       1.0
         126.0      16.5
         127.0       1.7
         128.0       5.5
         133.0       2.8
         134.0       1.1
         135.0       1.8
         162.0     100.0
         163.0       6.9
         164.0      63.6
         165.0       4.3
         166.0      10.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H4 Cl2 O 0.046 g : 0.5 ml CDCl3
    2,4-dichlorophenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.317 B 7.136 C 6.954 D 5.49 J(A,B)=2.5HZ. J(A,C)=0.4HZ. J(B,C)=8.7HZ.

         Hz     ppm     Int.
    

        656.88   7.335    615
        656.44   7.330    559
        654.50   7.308    906
        654.06   7.304    770
        646.19   7.216    264
        643.88   7.190    134
        637.56   7.119    528
        635.19   7.093    451
        625.56   6.985   1000
        625.13   6.981    898
        616.88   6.888    414
        616.44   6.883    363
        491.81   5.492    828
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,100M,powder

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