Product Name2-Bromoacetophenone
CAS70-11-1
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
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 |
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Assign. Shift(ppm) |
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
CCl4 solution
KBr disc
nujol mull
2-Bromoacetophenone(70-11-1) MS Atlas of Related Products
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