| SpectraBase Spectrum ID |
7ZWbJK92yQC |
| Name |
N-Benzyl-N-propyl-(3,4-methylenedioxyphenyl)butan-2-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.204179111 u |
| Formula |
C21H27NO2 |
| InChI |
InChI=1S/C21H27NO2/c1-3-12-22(15-17-8-6-5-7-9-17)19(4-2)13-18-10-11-20-21(14-18)24-16-23-20/h5-11,14,19H,3-4,12-13,15-16H2,1-2H3 |
| InChIKey |
OQKLCEUMCKDUDB-UHFFFAOYSA-N |
| Molecular Weight |
325.452 g/mol |
| SMILES |
C1=2C(=CC=C(C2)CC(N(CC=2C=CC=CC2)CCC)CC)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958346 |
