53-19-0

Mitotan(53-19-0) MS

Product NameMitotan

CAS 53-19-0

Molecular FormulaC14H10Cl4

Molecular Weight320.04

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

InChIKey JWBOIMRXGHLCPP-UHFFFAOYSA-N

SmilesC1(Cl)=CC=CC=C1C(C1=CC=C(Cl)C=C1)C(Cl)Cl

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Mitotan(53-19-0) MS
Mass

MS-NW-7564          
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane
C14H10Cl4           (Mass of molecular ion:    318)

   Source Temperature: 180 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      36.0       1.3
      39.0       1.4
      50.0       2.6
      51.0       3.2
      62.0       1.1
      63.0       2.1
      73.0       1.0
      74.0       2.6
      75.0       7.0
      76.0       1.8
      77.0       1.0
      81.5       1.6
      82.0       5.2
      82.5       2.2
      87.0       1.8
      87.5       1.0
      88.0       6.9
      88.5       1.6
      89.0       1.4
      93.0       1.3
      99.0       2.1
      99.5       2.2
     100.0       2.4
     101.0       4.2
     102.0       2.1
     105.0       1.1
     106.0       2.8
     111.0       1.0
     123.0       1.1
     136.0       2.8
     137.0       3.1
     138.0       1.4
     139.0       1.4
     150.0       1.4
     151.0       1.7
     163.0       3.5
     164.0       3.7
     165.0      33.5
     166.0       5.0
     172.0       1.2
     174.0       1.3
     175.0       1.3
     176.0       7.2
     177.0       2.9
     178.0       4.7
     199.0      12.0
     200.0       7.0
     201.0       4.6
     202.0       2.3
     212.0       6.0
     213.0       1.4
     214.0       2.0
     235.0     100.0
     236.0      14.4
     237.0      65.2
     238.0       9.3
     239.0      10.8
     240.0       1.6
     247.0       1.0
     248.0       1.4
     318.0       3.5
     320.0       4.6
     322.0       2.2

400 MHz in CDCl3

Mitotan(53-19-0) MS

¹H NMR	399.65 MHz
C₁₄ H₁₀ Cl₄	0.036 g : 0.5 ml CDCl₃
1,1-dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane

    Assign.     Shift(ppm)

      A     *1      7.424
      B     *1      7.376
      C             7.30
      D     *2      7.28
      E     *2      7.21
      F             6.356
      G             5.180

     Hz     ppm     Int.

   2973.14   7.440    105
   2971.56   7.436    132
   2965.33   7.420    135
   2963.75   7.416    166
   2953.49   7.391    125
   2952.03   7.387    150
   2945.56   7.371    157
   2944.09   7.367    192
   2927.86   7.327     76
   2927.00   7.324     76
   2924.68   7.319     69
   2921.75   7.311     97
   2918.70   7.304    778
   2917.72   7.301    665
   2916.75   7.299   1000
   2910.89   7.284    184
   2909.42   7.280    182
   2907.96   7.277    121
   2903.20   7.265    100
   2901.73   7.261    100
   2889.28   7.230    112
   2887.70   7.226    133
   2881.47   7.210    121
   2879.88   7.207    140
   2874.02   7.192     58
   2872.44   7.188     63
   2544.56   6.367    300
   2535.89   6.346    311
   2074.58   5.191    196
   2065.92   5.170    190

in CDCl3