3'-Bromopropiophenone(19829-31-3) IR2
Product Name3'-Bromopropiophenone
CAS19829-31-3
Molecular FormulaC9H9BrO
Molecular Weight213.07
InChIInChI=1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey QSHLXVTVXQTHBS-UHFFFAOYSA-N
SmilesC(C1=CC=CC(Br)=C1)(=O)CC
-
MassMS-IW-9459 3'-bromopropiophenone C9H9BrO (Mass of molecular ion: 212)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.3 27.0 4.9 28.0 2.1 29.0 9.0 38.0 2.5 39.0 1.3 50.0 15.6 51.0 5.0 55.0 1.4 57.0 4.3 63.0 1.4 74.0 6.1 75.0 20.6 76.0 22.3 77.0 4.4 104.0 2.1 105.0 1.0 155.0 36.0 156.0 2.9 157.0 35.1 158.0 2.5 183.0 100.0 184.0 8.0 185.0 97.3 186.0 7.6 212.0 18.1 213.0 2.0 214.0 17.5 215.0 1.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C9 H9 Br O 0.040 g : 0.5 ml CDCl3 3'-bromopropiophenone 
Assign. Shift(ppm)
A 8.086 B 7.880 C 7.672 D 7.340 E 2.977 F 1.221
Hz ppm Int.3233.40 8.091 139 3231.69 8.087 252 3229.98 8.083 143 3154.66 7.894 107 3153.56 7.891 120 3153.08 7.890 114 3151.98 7.887 104 3146.85 7.875 114 3145.87 7.872 126 3145.26 7.871 123 3144.17 7.868 108 3072.02 7.687 114 3070.92 7.685 119 3069.95 7.682 115 3068.97 7.680 109 3064.09 7.667 128 3062.99 7.665 130 3062.01 7.662 131 3061.04 7.660 115 2941.65 7.361 143 2941.28 7.360 141 2933.72 7.341 239 2933.35 7.340 234 2925.90 7.322 119 2925.54 7.321 117 1200.93 3.005 150 1193.73 2.987 467 1186.52 2.969 479 1179.32 2.951 164 495.48 1.240 532 488.28 1.222 1000 485.84 1.216 38 483.40 1.210 35 481.08 1.204 506
in CDCl3
KBr disk
nujol mull
