4,4'-Dichlorobenzophenone(90-98-2) IR2

Product Name4,4'-Dichlorobenzophenone

CAS 90-98-2

Molecular FormulaC13H8Cl2O

Molecular Weight251.11

InChIInChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

InChIKey OKISUZLXOYGIFP-UHFFFAOYSA-N

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

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4,4'-Dichlorobenzophenone(90-98-2) IR2
Mass

MS-NW-6485          
4,4'-dichlorobenzophenone
C13H8Cl2O           (Mass of molecular ion:    250)

   Source Temperature: 130 °C
   Sample Temperature:  70 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.1
      28.0       2.0
      36.0       1.0
      50.0       5.2
      51.0       2.8
      74.0       3.1
      75.0      15.3
      76.0       4.5
      85.0       1.6
      93.0       1.4
     104.0       1.1
     111.0      26.9
     112.0       4.0
     113.0       8.3
     139.0     100.0
     140.0       8.1
     141.0      32.6
     142.0       2.6
     152.0       2.0
     215.0       8.7
     216.0       1.4
     217.0       3.0
     250.0      29.6
     251.0       4.6
     252.0      19.7
     253.0       3.0
     254.0       3.5

90 MHz in CDCl3

4,4'-Dichlorobenzophenone(90-98-2) IR2

¹H NMR	89.56 MHz
C₁₃ H₈ Cl₂ O	0.048 g : 0.5 ml CDCl₃
4,4'-dichlorobenzophenone

    Assign.     Shift(ppm)

      A             7.712
      B             7.469

     Hz     ppm     Int.

    698.63   7.801     60
    696.50   7.777    584
    695.94   7.771    325
    694.38   7.754    198
    689.94   7.704    253
    687.69   7.679    974
    685.75   7.657    196
    674.00   7.526    171
    672.06   7.505   1000
    669.81   7.479    275
    668.63   7.466     33
    665.31   7.429    186
    663.81   7.412    348
    663.19   7.405    572
    661.13   7.382     71

in CDCl3