| SpectraBase Spectrum ID |
HSHZqaQjexS |
| Name |
N,N-Dibenzyl-3,5-dimethoxy-4-(3-fluoropropoxy)amphetamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.252272119 u |
| Formula |
C28H34FNO3 |
| InChI |
InChI=1S/C28H34FNO3/c1-22(17-25-18-26(31-2)28(27(19-25)32-3)33-16-10-15-29)30(20-23-11-6-4-7-12-23)21-24-13-8-5-9-14-24/h4-9,11-14,18-19,22H,10,15-17,20-21H2,1-3H3 |
| InChIKey |
IGLQJAZHNGZEIJ-UHFFFAOYSA-N |
| Molecular Weight |
451.582 g/mol |
| SMILES |
C=1(C(=CC(=CC1OC)CC(N(CC=1C=CC=CC1)CC=1C=CC=CC1)C)OC)OCCCF |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845024 |
