| SpectraBase Spectrum ID |
EjbenjfkCqM |
| Name |
N-Hexyl-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 |
391.100824079 u |
| Formula |
C16H26INO2 |
| InChI |
InChI=1S/C16H26INO2/c1-4-5-6-7-9-18-10-8-13-11-16(20-3)14(17)12-15(13)19-2/h11-12,18H,4-10H2,1-3H3 |
| InChIKey |
FEMQTFQORBJDKQ-UHFFFAOYSA-N |
| Molecular Weight |
391.293 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)I)OC)CCNCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807676 |
