| SpectraBase Compound ID | FlmfhETXncf |
|---|---|
| InChI | InChI=1S/C11H15NO2.ClH/c1-8(12-2)6-9-4-3-5-10-11(9)14-7-13-10;/h3-5,8,12H,6-7H2,1-2H3;1H |
| InChIKey | QSEQMDJEMZTQSW-UHFFFAOYSA-N |
| Mol Weight | 229.71 g/mol |
| Molecular Formula | C11H16ClNO2 |
| Exact Mass | 229.086956 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CCKguV1huhp |
|---|---|
| Name | 2,3-Mdma hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.086956457 u |
| Formula | C11H16ClNO2 |
| InChI | InChI=1S/C11H15NO2.ClH/c1-8(12-2)6-9-4-3-5-10-11(9)14-7-13-10;/h3-5,8,12H,6-7H2,1-2H3;1H |
| InChIKey | QSEQMDJEMZTQSW-UHFFFAOYSA-N |
| SMILES | Cl.N(C(CC1=CC=CC=2OCOC12)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.95527 |