SpectraBase Spectrum ID |
XAbFLsrJBC |
Name |
{2-[(3-Bromophenyl)amino]ethyl}dimethylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
242.041861491 u |
Formula |
C10H15BrN2 |
InChI |
InChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3 |
InChIKey |
NTMUDWQRSUZEMP-UHFFFAOYSA-N |
Molecular Weight |
243.148 g/mol |
SMILES |
C1(Br)=CC(=CC=C1)NCCN(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822298 |