4-Bromobenzylamine hydrochloride(26177-44-6) MS
Product Name4-Bromobenzylamine hydrochloride
CAS26177-44-6
Molecular FormulaC7H9BrClN
Molecular Weight222.51
InChIInChI=1S/C7H8BrN.ClH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
InChIKey BVYUYDBWQMSOKM-UHFFFAOYSA-N
SmilesC1(CN)=CC=C(Br)C=C1.Cl
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MassMS-NW-7148 4-bromobenzylamine hydrochloride C7H8BrN HCl (Mass of molecular ion: 185)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.0 27.0 1.7 28.0 26.7 29.0 8.9 30.0 35.2 35.0 4.5 36.0 30.8 37.0 1.7 38.0 10.4 39.0 4.4 49.0 1.3 50.0 12.0 51.0 11.2 51.5 1.6 52.0 4.2 52.5 11.4 53.0 3.7 54.0 1.4 61.0 1.3 62.0 2.6 63.0 5.6 64.0 1.3 73.0 1.4 74.0 5.6 75.0 7.5 76.0 6.9 77.0 29.8 78.0 13.7 79.0 13.8 80.0 1.2 89.0 9.4 90.0 8.8 91.0 2.2 103.0 1.1 104.0 5.9 105.0 3.9 106.0 100.0 107.0 8.6 155.0 1.6 156.0 1.7 157.0 6.3 158.0 1.9 159.0 4.8 169.0 8.6 170.0 1.3 171.0 8.4 182.0 1.4 184.0 33.5 185.0 14.2 186.0 32.1 187.0 13.6 188.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H8 Br N 0.035 g : 0.5 ml DMSO-d6 4-bromobenzylamine hydrochloride 
Assign. Shift(ppm)
A 8.69 B 7.613 C 7.506 D 3.995
Hz ppm Int.3473.82 8.693 177 3050.08 7.632 94 3047.64 7.626 603 3045.65 7.621 252 3041.08 7.610 300 3039.09 7.605 922 3036.65 7.599 156 3005.68 7.521 131 3003.23 7.515 775 3001.40 7.511 240 2996.67 7.499 201 2994.84 7.494 526 2992.40 7.488 72 1596.68 3.996 1000
KBr disc
nujol mull
