| SpectraBase Compound ID | 15qcPNH3JyK |
|---|---|
| InChI | InChI=1S/C16H27NO3/c1-7-17(8-2)12(3)9-13-10-15(19-5)16(20-6)11-14(13)18-4/h10-12H,7-9H2,1-6H3 |
| InChIKey | XQMSPUCXHBNZDF-UHFFFAOYSA-N |
| Mol Weight | 281.4 g/mol |
| Molecular Formula | C16H27NO3 |
| Exact Mass | 281.199094 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Ca8nlE1BsA |
|---|---|
| Name | N,N-Diethyl-2,4,5-trimethoxyamphetamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.199093730 u |
| Formula | C16H27NO3 |
| InChI | InChI=1S/C16H27NO3/c1-7-17(8-2)12(3)9-13-10-15(19-5)16(20-6)11-14(13)18-4/h10-12H,7-9H2,1-6H3 |
| InChIKey | XQMSPUCXHBNZDF-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C(=C1)OC)OC)OC)CC(N(CC)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812416 |