2,4'-Dibromoacetophenone(99-73-0) MS
Product Name2,4'-Dibromoacetophenone
CAS99-73-0
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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MassMS-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
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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
CCl4 solution
KBr disc
nujol mull
