Product Name3-Cyanobenzyl bromide
CAS28188-41-2
Molecular FormulaC8H6BrN
Molecular Weight196.04
InChIInChI=1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
InChIKey CVKOOKPNCVYHNY-UHFFFAOYSA-N
SmilesC(#N)C1=CC=CC(CBr)=C1
Mass
MS-NW-6823 alpha-bromo-m-tolunitrile C8H6BrN (Mass of molecular ion: 195)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
37.0 1.1 38.0 1.9 39.0 4.6 50.0 2.3 51.0 2.0 57.5 1.4 58.0 1.2 61.0 1.2 62.0 2.8 63.0 5.5 64.0 2.1 65.0 1.1 75.0 1.0 76.0 1.0 88.0 2.2 89.0 14.7 90.0 3.6 114.0 1.3 115.0 1.8 116.0 100.0 117.0 9.8 194.0 1.0 195.0 3.7 196.0 1.3 197.0 3.6
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H6 Br N | 0.040 g : 0.5 ml CDCl3 |
alpha-bromo-m-tolunitrile |
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Assign. Shift(ppm) |
Hz ppm Int.
3075.56 7.696 145 3074.22 7.693 262 3072.75 7.689 168 3058.59 7.654 94 3057.37 7.651 127 3055.54 7.646 77 3050.78 7.634 116 3049.56 7.631 160 3047.73 7.626 104 3041.14 7.610 101 3039.79 7.607 150 3038.33 7.603 87 3033.33 7.590 143 3032.10 7.587 202 3030.76 7.584 108 2995.12 7.495 178 2987.30 7.475 261 2979.61 7.456 105 1788.94 4.477 1000
in CDCl3
KBr disc
nujol mull
3-Cyanobenzyl bromide(28188-41-2) IR2 Atlas of Related Products
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