4-Bromoethylbenzene(1585-07-5) IR1
Product Name4-Bromoethylbenzene
CAS1585-07-5
Molecular FormulaC8H9Br
Molecular Weight185.06
InChIInChI=1S/C8H9Br/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3
InChIKey URFPRAHGGBYNPW-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(CC)C=C1
-
MassMS-IW-9451 1-bromo-4-ethylbenzene C8H9Br (Mass of molecular ion: 184)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 6.5 37.0 1.4 38.0 3.9 39.0 9.6 40.0 1.0 43.0 1.0 45.0 1.2 49.0 1.4 50.0 14.0 51.0 30.2 51.5 1.9 52.0 8.4 53.0 1.9 61.0 1.6 62.0 4.4 63.0 11.0 64.0 2.9 65.0 2.0 73.0 1.1 74.0 5.4 75.0 7.0 76.0 5.8 77.0 24.1 78.0 7.2 79.0 10.3 87.0 1.1 89.0 15.8 90.0 26.5 91.0 3.1 92.0 1.3 101.0 1.1 102.0 4.5 103.0 12.4 104.0 13.0 105.0 82.3 106.0 7.3 107.0 2.4 169.0 100.0 170.0 7.9 171.0 97.3 172.0 7.5 183.0 1.5 184.0 55.0 185.0 6.0 186.0 52.9 187.0 4.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H9 Br 0.05 ml : 0.5 ml CDCl3 1-bromo-4-ethylbenzene 
Assign. Shift(ppm)
A 7.364 B 7.031 C 2.563 D 1.189
Hz ppm Int.2949.83 7.382 80 2947.39 7.375 440 2945.43 7.371 161 2940.80 7.359 182 2938.96 7.354 472 2936.28 7.348 76 2816.53 7.048 84 2814.09 7.042 403 2812.01 7.037 151 2807.50 7.025 151 2805.42 7.020 348 2802.98 7.014 58 1036.62 2.594 120 1029.05 2.575 329 1026.61 2.569 54 1021.36 2.556 334 1013.79 2.537 127 482.79 1.209 608 480.35 1.202 43 475.22 1.190 1000 467.53 1.170 582
in CDCl3
liquid film
