Benzyl bromide(100-39-0) MS
Product NameBenzyl bromide
CAS100-39-0
Molecular FormulaC7H7Br
Molecular Weight171.03
InChIInChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey AGEZXYOZHKGVCM-UHFFFAOYSA-N
SmilesC1(CBr)=CC=CC=C1
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MassMS-NW-2671 benzyl bromide C7H7Br (Mass of molecular ion: 170)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
38.0 1.5 39.0 5.6 41.0 1.3 50.0 2.1 51.0 3.1 52.0 1.4 62.0 1.8 63.0 5.0 64.0 1.6 65.0 12.2 89.0 4.3 90.0 2.5 91.0 100.0 92.0 8.0 170.0 4.1 172.0 4.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 Br 0.05 ml : 0.5 ml CDCl3 benzyl bromide 
Assign. Shift(ppm)
A 7.51 to 7.09 B 4.440
Hz ppm Int.664.06 7.415 23 662.00 7.392 52 660.63 7.377 34 658.75 7.356 50 657.06 7.337 203 655.38 7.318 498 654.25 7.306 522 653.88 7.302 518 651.19 7.271 174 649.31 7.251 100 648.00 7.236 32 646.56 7.220 57 641.06 7.158 23 397.63 4.440 1000
in CDCl3
liquid film
