| SpectraBase Spectrum ID |
2LKxyadupk5 |
| Name |
N,N-Dihexyl-1-(4-bromophenyl)ethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.187463099 u |
| Formula |
C20H34BrN |
| InChI |
InChI=1S/C20H34BrN/c1-4-6-8-10-16-22(17-11-9-7-5-2)18(3)19-12-14-20(21)15-13-19/h12-15,18H,4-11,16-17H2,1-3H3 |
| InChIKey |
LGGXYUNALJVRAA-UHFFFAOYSA-N |
| Molecular Weight |
368.403 g/mol |
| SMILES |
C(C1=CC=C(C=C1)Br)(N(CCCCCC)CCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938884 |
