3-Methylbenzyl bromide(620-13-3) 1H NMR
Product Name3-Methylbenzyl bromide
CAS620-13-3
Molecular FormulaC8H9Br
Molecular Weight185.06
InChIInChI=1S/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3
InChIKey FWLWTILKTABGKQ-UHFFFAOYSA-N
SmilesC1(CBr)=CC=CC(C)=C1
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MassMS-NW-9685 alpha-bromo-m-xylene C8H9Br (Mass of molecular ion: 184)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.5 39.0 2.8 50.0 1.6 51.0 6.5 52.0 2.2 63.0 2.4 65.0 1.2 77.0 10.4 78.0 3.9 79.0 12.5 89.0 1.1 91.0 1.8 92.0 1.3 102.0 1.0 103.0 9.5 104.0 4.5 105.0 100.0 106.0 9.6 140.0 1.2 184.0 9.3 185.0 1.3 186.0 9.1
400 MHz in CDCl6
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1H NMR 399.65 MHz C8 H9 Br 0.05 ml : 0.5 ml CDCl3 m-methylbenzene bromide 
Assign. Shift(ppm)
A 7.183 B 7.16 C 7.15 D 7.064 E 4.406 F 2.302
Hz ppm Int.2880.49 7.208 91 2873.05 7.189 256 2865.48 7.170 294 2862.67 7.163 272 2862.30 7.163 268 2859.50 7.156 174 2857.91 7.152 226 2849.73 7.131 137 2826.78 7.074 162 2819.34 7.055 122 2818.97 7.054 120 1760.99 4.407 966 920.04 2.303 1000
in CDCl3
liquid film
