| SpectraBase Spectrum ID |
2TDBDs78v7S |
| Name |
N,N-Diisopentyl-2-(3,4-methylenedioxyphenyl)propan-1-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.251129305 u |
| Formula |
C20H33NO2 |
| InChI |
InChI=1S/C20H33NO2/c1-15(2)8-10-21(11-9-16(3)4)13-17(5)18-6-7-19-20(12-18)23-14-22-19/h6-7,12,15-17H,8-11,13-14H2,1-5H3 |
| InChIKey |
KDALSOYSIKFZAE-UHFFFAOYSA-N |
| Molecular Weight |
319.489 g/mol |
| SMILES |
C1=2C(=CC=C(C(CN(CCC(C)C)CCC(C)C)C)C2)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860746 |
