4-Nitrobenzyl bromide(100-11-8) Raman
Product Name4-Nitrobenzyl bromide
CAS100-11-8
Molecular FormulaC7H6BrNO2
Molecular Weight216.03
InChIInChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey VOLRSQPSJGXRNJ-UHFFFAOYSA-N
SmilesC1(CBr)=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-4792 4-nitrobenzyl bromide C7H6BrNO2 (Mass of molecular ion: 215)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 1.4 30.0 17.7 38.0 1.7 39.0 4.6 40.0 1.0 50.0 2.6 51.0 3.7 52.0 1.4 62.0 2.8 63.0 8.1 64.0 3.7 77.0 1.4 78.0 22.7 79.0 1.5 89.0 16.8 90.0 22.7 91.0 1.8 106.0 11.5 107.0 1.0 120.0 1.3 136.0 100.0 137.0 8.4 169.0 1.1 171.0 1.1 215.0 3.5 217.0 3.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Br N O2 0.043 g : 0.5 ml CDCl3 4-nitrobenzyl bromide 
Assign. Shift(ppm)
A 8.191 B 7.563 C 4.520
Hz ppm Int.741.19 8.276 38 738.81 8.250 355 736.75 8.227 126 732.00 8.174 127 729.88 8.150 492 727.50 8.124 76 683.75 7.635 55 681.31 7.608 461 679.13 7.583 133 674.94 7.537 72 674.50 7.532 106 672.38 7.508 343 670.44 7.486 34 670.00 7.482 46 404.88 4.521 1000 402.56 4.495 51
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
