| SpectraBase Compound ID | 1WI3gC2JxSX |
|---|---|
| InChI | InChI=1S/C12H19NO3/c1-8(13)5-10-11(15-3)6-9(14-2)7-12(10)16-4/h6-8H,5,13H2,1-4H3 |
| InChIKey | DDGNOUVDFKXADP-UHFFFAOYSA-N |
| Mol Weight | 225.29 g/mol |
| Molecular Formula | C12H19NO3 |
| Exact Mass | 225.136493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 18DmUJBWlWo |
|---|---|
| Name | 2,4,6-Trimethoxyamphetamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.136493473 u |
| Formula | C12H19NO3 |
| InChI | InChI=1S/C12H19NO3/c1-8(13)5-10-11(15-3)6-9(14-2)7-12(10)16-4/h6-8H,5,13H2,1-4H3 |
| InChIKey | DDGNOUVDFKXADP-UHFFFAOYSA-N |
| Molecular Weight | 225.288 g/mol |
| SMILES | C1=C(C(=C(C=C1OC)OC)CC(N)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810561 |