3-Chlorobenzyl bromide(766-80-3) IR1
Product Name3-Chlorobenzyl bromide
CAS766-80-3
Molecular FormulaC7H6BrCl
Molecular Weight205.48
InChIInChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey LZIYAIRGDHSVED-UHFFFAOYSA-N
SmilesC1(CBr)=CC=CC(Cl)=C1
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MassMS-NW-8665 3-chlorobenzyl bromide C7H6BrCl (Mass of molecular ion: 204)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
38.0 1.4 39.0 3.6 44.0 1.3 44.5 1.0 50.0 2.3 51.0 2.2 61.0 1.3 62.0 3.7 63.0 7.9 64.0 1.7 73.0 1.8 75.0 1.3 84.0 1.3 85.0 1.6 89.0 15.4 90.0 5.0 99.0 4.9 101.0 1.5 125.0 100.0 126.0 8.1 127.0 32.6 128.0 2.6 160.0 1.0 204.0 6.6 206.0 8.5 208.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Br Cl 0.05 ml : 0.5 ml CDCl3 3-chlorobenzyl bromide 
Assign. Shift(ppm)
A 7.34 B 7.23 to 7.20 C 4.378 CONFIRMED BY LAOCN PROGRAM
Hz ppm Int.660.38 7.374 60 657.56 7.343 195 656.56 7.331 135 655.81 7.323 126 647.56 7.231 1000 646.25 7.216 604 640.06 7.147 26 392.19 4.380 868
in CDCl3
liquid film
4880 A,200 M,liquid
