3-Bromobenzylamine hydrochloride(39959-54-1) 1H NMR
Product Name3-Bromobenzylamine hydrochloride
CAS39959-54-1
Molecular FormulaC7H9BrClN
Molecular Weight222.51
InChIInChI=1S/C7H8BrN.ClH/c8-7-3-1-2-6(4-7)5-9;/h1-4H,5,9H2;1H
InChIKey UGEQUCUBWNAUJS-UHFFFAOYSA-N
SmilesC1(CN)=CC=CC(Br)=C1.Cl
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MassMS-KW-0267 3-bromobenzylamine hydrochloride C7H8BrN HCl (Mass of molecular ion: 185)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.2 18.0 4.6 27.0 1.9 28.0 33.6 29.0 10.2 30.0 62.3 31.0 1.0 35.0 4.8 36.0 41.0 37.0 2.8 38.0 14.7 39.0 4.7 49.0 1.2 50.0 12.3 51.0 13.1 51.5 2.2 52.0 4.8 52.5 15.9 53.0 5.7 54.0 1.2 61.0 1.0 62.0 2.6 63.0 5.3 64.0 1.3 73.0 1.2 74.0 4.8 75.0 8.2 76.0 8.6 77.0 36.3 78.0 15.0 79.0 15.5 80.0 1.9 82.0 1.2 89.0 7.3 90.0 6.9 91.0 1.9 92.0 1.3 93.0 1.0 102.0 3.1 103.0 2.4 104.0 6.8 105.0 3.6 106.0 100.0 107.0 8.4 155.0 1.8 156.0 2.0 157.0 7.4 158.0 2.4 159.0 5.5 169.0 4.7 170.0 1.2 171.0 4.4 172.0 1.0 181.0 2.2 182.0 1.9 183.0 3.1 184.0 32.9 185.0 14.8 186.0 31.1 187.0 13.4 188.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7H8BrN HCl 0.040 g : 0.5 ml DMSO-d6 3-bromobenzylamine hydrochloride 
Assign. Shift(ppm)
A 8.75 B 7.813 C 7.57 D 7.376 E 4.027
Hz ppm Int.3500.22 8.756 286 3125.16 7.818 267 3123.48 7.813 453 3121.80 7.809 274 3031.01 7.582 224 3028.87 7.577 307 3027.20 7.573 248 3023.08 7.562 281 3020.94 7.557 419 3019.26 7.553 288 2955.94 7.394 315 2948.16 7.375 492 2940.22 7.355 215 1610.11 4.028 1000
in DMSO-d6
KBr disk
Nujol
