| SpectraBase Spectrum ID |
25cva78qji6 |
| Name |
N-(4-Bromobenzyl)-2,5-dimethoxy-4-iodophenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.964386854 u |
| Formula |
C17H19BrINO2 |
| InChI |
InChI=1S/C17H19BrINO2/c1-21-16-10-15(19)17(22-2)9-13(16)7-8-20-11-12-3-5-14(18)6-4-12/h3-6,9-10,20H,7-8,11H2,1-2H3 |
| InChIKey |
HFAWNVVQGAOROA-UHFFFAOYSA-N |
| Molecular Weight |
476.152 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)I)OC)CCNCC1=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928212 |
