| SpectraBase Spectrum ID |
EWh42ixRfrj |
| Name |
N,N-bis-Phenethyl-2,3-methylenedioxyamphetamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.219829176 u |
| Formula |
C26H29NO2 |
| InChI |
InChI=1S/C26H29NO2/c1-21(19-24-13-8-14-25-26(24)29-20-28-25)27(17-15-22-9-4-2-5-10-22)18-16-23-11-6-3-7-12-23/h2-14,21H,15-20H2,1H3 |
| InChIKey |
JALJUSWWHGENEV-UHFFFAOYSA-N |
| Molecular Weight |
387.523 g/mol |
| SMILES |
C=1(C2=C(OCO2)C=CC1)CC(N(CCC=1C=CC=CC1)CCC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806747 |
