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4,4'-DDE

CAS72-55-9

MFC14H8Cl4

MW318.03

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  • Mass

    MS-NW-4606          
    1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene
    C14H8Cl4            (Mass of molecular ion:    316)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          36.0       1.1
          39.0       1.1
          50.0       4.1
          51.0       3.5
          61.0       1.4
          62.0       2.1
          63.0       2.2
          73.0       2.1
          74.0       5.5
          75.0       7.4
          76.0       1.1
          84.0       1.0
          85.0       1.7
          86.0       2.2
          87.0       5.6
          87.5       2.3
          88.0       4.1
          92.0       1.7
          93.0       1.2
          97.0       1.2
          98.0       2.8
          99.0       4.3
         100.0       1.0
         104.5       1.7
         105.0      12.2
         105.5       2.7
         106.0       4.2
         109.0       1.5
         110.0       2.9
         111.0       2.7
         122.0       5.5
         122.5       2.7
         123.0       8.9
         123.5       2.5
         124.0       4.1
         125.0       2.1
         126.0       1.1
         135.0       2.1
         136.0       1.3
         137.0       1.7
         140.0       5.4
         140.5       1.2
         141.0       5.6
         141.5       1.1
         142.0       1.9
         149.0       2.2
         150.0       3.3
         160.0       2.2
         162.0       1.0
         163.0       1.7
         170.0       4.0
         172.0       2.8
         173.0       1.3
         174.0       5.8
         175.0       7.6
         176.0      29.4
         177.0       4.5
         184.0       1.5
         185.0       1.1
         186.0       1.2
         199.0       1.5
         209.0       1.1
         210.0      14.3
         211.0       4.3
         212.0       5.3
         213.0       1.3
         233.0       2.9
         235.0       1.9
         244.0       1.3
         245.0       3.4
         246.0     100.0
         247.0      17.4
         248.0      63.7
         249.0      10.1
         250.0      10.9
         251.0       1.8
         280.0       5.8
         281.0       8.6
         282.0       6.7
         283.0       8.2
         284.0       3.0
         285.0       2.9
         316.0      56.5
         317.0       8.9
         318.0      68.4
         319.0      11.4
         320.0      34.9
         321.0       5.6
         322.0       7.7
         323.0       1.1
    

parameter in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C14 H8 Cl4 ca 5 % in CDCl3
    1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.24 D(B) 7.12 J(A,A') 2.1 J(A,B) 8.4 J(A,B') 0.5 J(A',B) 0.5 J(A',B') 8.4 J(B,B') 2.1 SHARPLESS,N.E. & BRADLEY,R.B. APPL.SPECTROSC. 22, 506 (1968)

         Hz     ppm     Int.
    

       2178.99   7.263     88
       2176.92   7.256    600
       2174.90   7.250    246
       2170.19   7.234    315
       2168.08   7.227   1000
       2166.09   7.220    171
       2141.91   7.140    171
       2139.93   7.133   1000
       2137.81   7.126    315
       2133.11   7.110    246
       2131.08   7.104    600
       2129.01   7.097     88
    


  • 1H NMR 89.56 MHz
    C14 H8 Cl4 0.045 g : 0.5 ml CDCl3
    1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.30 B 7.21

         Hz     ppm     Int.
    

        666.63   7.444     27
        662.06   7.393     65
        660.69   7.378    206
        659.81   7.368    150
        658.06   7.348    111
        655.56   7.320     40
        654.31   7.306    160
        651.88   7.279   1000
        650.31   7.262    289
        648.81   7.245    357
        647.31   7.228    989
        644.81   7.200    178
        643.19   7.182     36
        642.50   7.174     36
        641.13   7.159    110
        639.31   7.139    152
        638.50   7.130    197
        637.06   7.114     52
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder