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33719-74-3

3,5-二氯苯甲醚(33719-74-3)核磁图(1HNMR)

产品名称:3,5-二氯苯甲醚

CAS:33719-74-3

分子式:C7H6Cl2O

分子量: 177.03

InChI:InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

InChIKey: SSNXYMVLSOMJLU-UHFFFAOYSA-N

Smiles:C1(Cl)=CC(OC)=CC(Cl)=C1

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    Mass

    MS-NW-8865          
    3,5-dichloroanisole
    C7H6Cl2O            (Mass of molecular ion:    176)
    

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

          15.0       1.4
          36.0       1.7
          37.0       1.9
          38.0       2.8
          49.0       1.3
          50.0       3.4
          51.0       1.6
          61.0       3.4
          62.0       6.9
          63.0      17.0
          72.0       1.2
          73.0       8.3
          74.0       7.8
          75.0       9.5
          77.0      10.5
          78.0       1.3
          83.0       2.5
          84.0       1.5
          85.0       2.6
          87.0       1.0
          91.0       1.6
          97.0       3.4
          98.0       3.8
          99.0       1.5
         100.0       1.2
         107.0       1.4
         109.0       6.3
         110.0       2.4
         111.0      26.4
         112.0       3.0
         113.0      13.6
         114.0       1.1
         115.0       1.9
         126.0       3.9
         128.0       1.3
         133.0      23.3
         134.0       1.6
         135.0      15.0
         137.0       2.5
         141.0       2.6
         145.0       4.7
         146.0      69.3
         147.0      16.0
         148.0      44.6
         149.0       8.9
         150.0       7.6
         151.0       1.3
         161.0       2.5
         163.0       1.6
         175.0       1.4
         176.0     100.0
         177.0       8.5
         178.0      64.3
         179.0       5.1
         180.0      10.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H6 Cl2 O 0.046 g : 0.5 ml CDCl3
    3,5-dichloroanisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.939 B 6.785 C 3.775 J(A,B)=1.8HZ.

         Hz     ppm     Int.
    

        623.44   6.962     93
        621.75   6.943    162
        619.88   6.922    146
        608.31   6.793    379
        606.56   6.773    296
        338.13   3.776   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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