2-Bromobenzylamine hydrochloride(5465-63-4) Raman
Product Name2-Bromobenzylamine hydrochloride
CAS5465-63-4
Molecular FormulaC7H9BrClN
Molecular Weight222.51
InChIInChI=1S/C7H8BrN.ClH/c8-7-4-2-1-3-6(7)5-9;/h1-4H,5,9H2;1H
InChIKey MDEJOHXOXKDGOU-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC=C1Br.Cl
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MassMS-IW-9291 2-bromobenzylamine hydrochloride C7H8BrN HCl (Mass of molecular ion: 185)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.5 27.0 2.1 28.0 31.5 29.0 9.7 30.0 60.1 35.0 4.9 36.0 45.7 37.0 2.6 38.0 16.3 39.0 5.3 49.0 1.1 50.0 11.5 51.0 16.5 51.5 2.5 52.0 5.6 52.5 20.0 53.0 7.1 61.0 1.0 62.0 2.4 63.0 4.9 64.0 1.3 74.0 4.2 75.0 6.7 76.0 6.6 77.0 42.6 78.0 16.0 79.0 19.4 80.0 1.8 89.0 6.9 90.0 7.3 91.0 1.7 102.0 2.4 103.0 1.4 104.0 9.2 105.0 2.7 106.0 100.0 107.0 8.3 156.0 3.4 157.0 5.2 158.0 3.5 159.0 4.8 169.0 6.1 171.0 5.7 184.0 30.7 185.0 14.1 186.0 30.2 187.0 13.3 188.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H8 Br N 0.041 g : 0.5 ml DMSO-d6 2-bromobenzylamine hydrochloride 
Assign. Shift(ppm)
A 8.81 B 7.702 C 7.695 D 7.470 E 7.340 F 4.107
Hz ppm Int.3522.49 8.814 48 3083.65 7.716 176 3081.97 7.712 199 3080.44 7.708 262 3079.22 7.705 269 3075.87 7.697 216 3074.34 7.693 226 3072.36 7.688 290 3071.14 7.685 289 2993.77 7.491 114 2992.71 7.489 123 2986.30 7.473 230 2985.08 7.470 240 2978.67 7.454 133 2977.45 7.451 134 2941.28 7.360 128 2939.76 7.356 137 2933.50 7.341 186 2931.98 7.337 186 2925.87 7.322 93 2924.35 7.318 93 1641.54 4.108 1000
in DMSO-d6
KBr disc
nujol mull
