| SpectraBase Spectrum ID |
BNEdtRBPMHu |
| Name |
N,N-Dibutyl-2,4,5-trimethoxyamphetamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.261693988 u |
| Formula |
C20H35NO3 |
| InChI |
InChI=1S/C20H35NO3/c1-7-9-11-21(12-10-8-2)16(3)13-17-14-19(23-5)20(24-6)15-18(17)22-4/h14-16H,7-13H2,1-6H3 |
| InChIKey |
XSUHPLVRJIEROV-UHFFFAOYSA-N |
| Molecular Weight |
337.504 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)OC)OC)CC(N(CCCC)CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827611 |
