2',4'-Dichloroacetophenone(2234-16-4) IR1

Product Name2',4'-Dichloroacetophenone

CAS 2234-16-4

Molecular FormulaC8H6Cl2O

Molecular Weight189.04

InChIInChI=1S/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H3

InChIKey XMCRWEBERCXJCH-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C(Cl)C=C1Cl)C

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Mass

MS-NW-2852          
2',4'-dichloroacetophenone
C8H6Cl2O            (Mass of molecular ion:    188)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.9
      28.0       1.4
      37.0       1.4
      42.0       1.2
      43.0      27.8
      44.0       1.0
      49.0       1.2
      50.0       4.4
      51.0       1.4
      61.0       1.4
      62.0       1.6
      63.0       1.9
      73.0       2.6
      74.0       9.5
      75.0      10.7
      84.0       2.4
      85.0       2.1
      86.0       1.1
      86.5       1.2
      89.0       1.8
     109.0      11.4
     110.0       4.9
     111.0       5.3
     112.0       1.7
     125.0       1.1
     138.0       1.0
     145.0      24.7
     146.0       2.9
     147.0      15.7
     148.0       1.7
     149.0       2.5
     173.0     100.0
     174.0       7.7
     175.0      64.1
     176.0       5.0
     177.0      10.4
     188.0      16.1
     189.0       1.5
     190.0      10.4
     192.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₆ Cl₂ O	0.04 ml : 0.5 ml CDCl₃
2',4'-dichloroacetophenone

    Assign.     Shift(ppm)

      A             7.53
      B             7.43
      C             7.32
      D             2.635

     Hz     ppm     Int.

    679.81   7.591     63
    679.38   7.586     56
    671.56   7.499    132
    671.13   7.494    125
    667.06   7.449     84
    666.63   7.444     87
    665.13   7.427    135
    658.63   7.355    124
    656.69   7.333     83
    650.38   7.262     58
    648.44   7.241     44
    236.00   2.636   1000

in CDCl3