Phenacyl Bromide(2142-69-0) IR1
Product NamePhenacyl Bromide
CAS2142-69-0
Molecular FormulaC8H7BrO
Molecular Weight199.04
InChIInChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChIKey PIMNFNXBTGPCIL-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC=C1Br)C
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MassMS-NW-5844 2'-bromoacetophenone C8H7BrO (Mass of molecular ion: 198)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 4.5 27.0 1.0 28.0 1.0 37.0 1.8 38.0 5.2 39.0 3.0 42.0 1.8 43.0 36.7 44.0 1.1 49.0 1.7 50.0 19.6 51.0 8.0 52.0 1.0 61.0 1.2 62.0 1.9 63.0 3.0 65.0 1.1 73.0 1.6 74.0 7.6 75.0 17.8 76.0 19.2 77.0 9.0 77.5 1.1 78.5 1.0 89.0 2.3 90.0 1.8 91.0 1.7 91.5 1.7 92.5 1.7 104.0 2.6 105.0 1.7 139.0 1.0 155.0 30.4 156.0 3.5 157.0 30.0 158.0 3.2 183.0 100.0 184.0 8.1 185.0 97.6 186.0 7.8 198.0 22.3 199.0 2.3 200.0 22.0 201.0 2.0
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C8 H7 Br O 0.04 ml : 0.5 ml CDCl3 2'-bromoacetophenone 
Assign. Shift(ppm)
A 7.60 B 7.46 C 7.36 D 7.28 E 2.623
Hz ppm Int.686.25 7.663 29 685.69 7.657 29 684.19 7.640 26 682.44 7.620 27 679.75 7.590 41 679.31 7.585 36 677.25 7.562 52 676.63 7.556 53 668.63 7.466 30 666.88 7.447 55 664.81 7.424 87 664.19 7.417 61 662.06 7.393 27 660.50 7.375 100 658.44 7.352 141 654.56 7.309 68 651.44 7.274 66 648.69 7.244 35 234.88 2.623 1000
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1H NMR 399.65 MHz C8 H7 Br O 0.05 ml : 0.5 ml CDCl3 2'-bromoacetophenone Assign. Shift(ppm)
A 7.590 B 7.455 C 7.356 D 7.282 E 2.613
Hz ppm Int.3038.21 7.603 85 3037.35 7.601 81 3036.99 7.600 80 3030.27 7.583 94 3029.42 7.581 92 3029.05 7.580 89 2985.84 7.472 66 2984.01 7.467 70 2978.15 7.452 94 2976.68 7.449 93 2948.12 7.377 55 2946.90 7.374 57 2940.67 7.359 104 2939.45 7.356 97 2933.11 7.340 62 2931.88 7.337 59 2918.09 7.302 74 2916.26 7.298 73 2910.16 7.282 79 2908.33 7.278 73 2902.71 7.264 42 2901.00 7.259 38 1044.56 2.614 1000
in CDCl3
liquid film
