72-54-8

P,P'-DDD(72-54-8) MS

Product NameP,P'-DDD

CAS 72-54-8

Molecular FormulaC14H10Cl4

Molecular Weight320.04

InChIInChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H

InChIKey AHJKRLASYNVKDZ-UHFFFAOYSA-N

SmilesC(C1=CC=C(Cl)C=C1)(C1=CC=C(Cl)C=C1)C(Cl)Cl

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P,P'-DDD(72-54-8) MS
Mass

MS-NW-2389          
1,1-dichloro-2,2-bis(p-chlorophenyl)ethane
C14H10Cl4           (Mass of molecular ion:    318)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.8
      28.0       1.5
      36.0       2.3
      39.0       1.2
      50.0       3.4
      51.0       3.4
      62.0       1.2
      63.0       2.4
      73.0       1.3
      74.0       2.8
      75.0       6.9
      76.0       1.9
      77.0       1.1
      81.5       1.4
      82.0       4.4
      82.5       1.8
      85.0       1.0
      87.0       1.6
      88.0       4.9
      88.5       1.2
      89.0       1.5
      93.0       1.0
      99.0       2.1
      99.5       2.0
     100.0       2.0
     101.0       4.1
     102.0       2.3
     106.0       2.4
     111.0       1.3
     123.0       1.0
     136.0       3.4
     137.0       3.4
     138.0       1.6
     139.0       1.6
     150.0       1.0
     151.0       1.6
     163.0       3.6
     164.0       4.1
     165.0      39.0
     166.0       5.7
     172.0       1.6
     173.0       1.0
     174.0       1.4
     175.0       1.3
     176.0       6.1
     177.0       3.0
     178.0       6.2
     179.0       1.0
     199.0      11.1
     200.0       6.4
     201.0       4.8
     202.0       2.2
     212.0       7.3
     213.0       1.8
     214.0       2.4
     235.0     100.0
     236.0      14.3
     237.0      63.5
     238.0       9.0
     239.0      10.4
     240.0       1.4
     246.0       1.0
     247.0       1.2
     248.0       2.5
     249.0       1.1
     250.0       1.3
     282.0       1.1
     284.0       1.0
     318.0       2.1
     320.0       2.8
     322.0       1.3

90 MHz in CDCl3

P,P'-DDD(72-54-8) MS

¹H NMR	89.56 MHz
C₁₄ H₁₀ Cl₄	0.045 g : 0.5 ml CDCl₃
1,1-dichloro-2,2-bis(p-chlorophenyl)ethane

    Assign.     Shift(ppm)

      A             7.29
      B             7.25
      C             6.285
      D             4.54

     Hz     ppm     Int.

    660.94   7.380     53
    660.56   7.376     52
    659.81   7.368     53
    657.50   7.342     41
    654.81   7.312     50
    651.75   7.278   1000
    650.88   7.268    712
    650.25   7.261    937
    648.44   7.241    166
    647.00   7.225     66
    644.63   7.198     35
    641.81   7.167     39
    641.13   7.159     49
    567.06   6.332    231
    559.06   6.243    258
    410.63   4.585    118
    402.69   4.497    107

in CDCl3