2-Bromoacetophenone(70-11-1) ¹³C NMR

Product Name2-Bromoacetophenone

CAS 70-11-1

Molecular FormulaC8H7BrO

Molecular Weight199.04

InChIInChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey LIGACIXOYTUXAW-UHFFFAOYSA-N

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

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Mass

MS-NW-1802          
2-bromoacetophenone
C8H7BrO             (Mass of molecular ion:    198)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       1.6
      37.0       1.1
      38.0       2.3
      39.0       5.3
      42.0       2.4
      49.0       1.0
      50.0      12.3
      51.0      25.8
      52.0       1.7
      62.0       1.9
      63.0       3.3
      65.0       4.6
      74.0       4.0
      75.0       2.5
      76.0       3.7
      77.0      49.2
      78.0       3.6
      89.0       1.5
      91.0      14.6
      92.0       1.1
     105.0     100.0
     106.0       7.7
     198.0       1.5
     200.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₇ Br O	0.044 g : 0.5 ml CDCl₃
2-bromoacetophenone

    Assign.     Shift(ppm)

      A             7.973
      B          7.55 to 7.47
      C             4.448

     Hz     ppm     Int.

    719.69   8.036    102
    718.13   8.019    109
    716.75   8.004     43
    716.44   8.000     43
    715.63   7.991     42
    714.13   7.974     39
    712.50   7.956    101
    712.00   7.950    101
    709.94   7.927    155
    708.69   7.914     30
    683.19   7.629     40
    682.06   7.616     56
    679.38   7.586     38
    678.31   7.574     86
    676.38   7.553    251
    675.31   7.541     92
    674.13   7.528    126
    672.19   7.506     49
    670.25   7.484     57
    669.19   7.472     81
    668.69   7.467    104
    662.88   7.402     35
    398.44   4.449   1000

in CDCl3