4-Bromostyrene(2039-82-9) 13C NMR
Product Name4-Bromostyrene
CAS2039-82-9
Molecular FormulaC8H7Br
Molecular Weight183.05
InChIInChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey WGGLDBIZIQMEGH-UHFFFAOYSA-N
SmilesC1(Br)=CC=C(C=C)C=C1
-
MassMS-IW-3458 p-bromostyrene C8H7Br (Mass of molecular ion: 182)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 2.0 37.0 1.3 38.0 2.8 39.0 3.2 49.0 1.8 50.0 15.1 51.0 26.2 51.5 1.5 52.0 3.3 53.0 1.3 61.0 1.7 62.0 3.3 63.0 5.8 73.0 1.6 74.0 8.7 75.0 10.7 76.0 9.0 77.0 47.4 78.0 3.8 87.0 1.1 91.0 3.2 92.0 2.6 98.0 1.4 101.0 4.7 102.0 24.3 103.0 65.1 104.0 5.8 156.0 2.3 158.0 2.2 181.0 3.0 182.0 100.0 183.0 11.6 184.0 96.6 185.0 9.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H7 Br 0.04 ml : 0.5 ml CDCl3 p-bromostyrene 
Assign. Shift(ppm)
A 7.419 B 7.259 C 6.623 D 5.730 E 5.264 J(C,D)=17.5HZ. J(D,E)=1.0HZ. J(C,E)=10.8HZ.
Hz ppm Int.672.88 7.514 39 672.56 7.510 40 670.69 7.489 353 668.75 7.468 141 664.38 7.419 203 662.00 7.392 1000 660.25 7.373 200 658.75 7.356 39 654.69 7.311 134 654.31 7.306 133 652.56 7.287 903 650.50 7.264 198 647.81 7.234 144 646.25 7.216 109 645.88 7.212 113 644.06 7.192 323 643.63 7.187 273 642.13 7.170 42 641.75 7.166 38 609.63 6.807 131 598.88 6.687 151 592.06 6.611 198 581.31 6.491 229 520.75 5.815 559 519.81 5.805 608 503.19 5.619 405 502.25 5.608 383 476.81 5.324 422 475.88 5.314 393 466.06 5.204 336 465.13 5.194 345
in CDCl3
liquid film
