| SpectraBase Spectrum ID |
BOMnl3OgQTk |
| Name |
N-[2-(4-Chlorophenyl)ethyl]-1-methyl-2-(2-iodo-5-methoxyphenyl)-ethanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.035636999 u |
| Formula |
C18H21ClINO |
| InChI |
InChI=1S/C18H21ClINO/c1-13(11-15-12-17(22-2)7-8-18(15)20)21-10-9-14-3-5-16(19)6-4-14/h3-8,12-13,21H,9-11H2,1-2H3 |
| InChIKey |
PJOAPSSEEXYGSP-UHFFFAOYSA-N |
| Molecular Weight |
429.729 g/mol |
| SMILES |
C1(=CC=C(C=C1)Cl)CCNC(CC1=CC(=CC=C1I)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946462 |
![N-[2-(4-Chlorophenyl)ethyl]-1-methyl-2-(2-iodo-5-methoxyphenyl)-ethanamine](/api/spectrum/BOMnl3OgQTk/structure.png?h=300&w=458 "N-[2-(4-Chlorophenyl)ethyl]-1-methyl-2-(2-iodo-5-methoxyphenyl)-ethanamine")
