| SpectraBase Spectrum ID |
EgTYjOIhuQe |
| Name |
N,N-Dibenzyl-2-(3,4-methylenedioxyphenyl)butan-1-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.204179111 u |
| Formula |
C25H27NO2 |
| InChI |
InChI=1S/C25H27NO2/c1-2-22(23-13-14-24-25(15-23)28-19-27-24)18-26(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-15,22H,2,16-19H2,1H3 |
| InChIKey |
OETHWIAGDHEBNB-UHFFFAOYSA-N |
| Molecular Weight |
373.496 g/mol |
| SMILES |
C=1(C(CN(CC=2C=CC=CC2)CC=2C=CC=CC2)CC)C=C2C(=CC1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902329 |
