2,4'-Dibromoacetophenone(99-73-0) IR2

Product Name2,4'-Dibromoacetophenone

CAS 99-73-0

Molecular FormulaC8H6Br2O

Molecular Weight277.94

InChIInChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey FKJSFKCZZIXQIP-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C(Br)C=C1)CBr

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Mass

MS-NW-1808          
2,4'-dibromoacetophenone
C8H6Br2O            (Mass of molecular ion:    276)

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

      14.0       1.1
      17.0       1.6
      18.0       6.7
      37.0       2.5
      38.0       5.5
      39.0       3.8
      42.0       3.8
      43.0       3.3
      44.0       1.1
      45.0       1.9
      49.0       2.2
      50.0      29.3
      51.0       7.0
      61.0       1.8
      62.0       3.5
      63.0       6.2
      64.0       1.8
      73.0       2.9
      74.0      13.2
      75.0      26.3
      76.0      26.7
      77.0       2.7
      79.0       1.2
      81.0       1.1
      89.0       8.6
      90.0      15.1
      91.0       1.4
      93.0       1.5
      95.0       1.5
     104.0       3.0
     139.0       2.5
     155.0      25.0
     156.0       2.1
     157.0      25.2
     158.0       1.7
     169.0       6.4
     171.0       6.3
     183.0     100.0
     184.0       7.9
     185.0      98.0
     186.0       7.3
     198.0       1.4
     200.0       1.3
     276.0       2.5
     278.0       4.8
     280.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₆ Br₂ O	0.047 g : 0.5 ml CDCl₃
2,4'-dibromoacetophenone

    Assign.     Shift(ppm)

      A             7.84
      B             7.64
      C             4.394

     Hz     ppm     Int.

    707.94   7.905    152
    707.44   7.900     68
    705.81   7.881     59
    701.31   7.831     72
    699.13   7.807    305
    697.19   7.785     66
    689.25   7.696     58
    687.31   7.675    301
    685.13   7.650     81
    680.63   7.600     55
    678.44   7.576    148
    393.56   4.395   1000
    392.25   4.380     27

in CDCl3