| SpectraBase Compound ID | BgPEjWBRVJp |
|---|---|
| InChI | InChI=1S/C10H11NO3.ClH/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8;/h2-4,6H,5,11H2,1H3;1H |
| InChIKey | VOQSBBVXFGPYKJ-UHFFFAOYSA-N |
| Mol Weight | 229.66 g/mol |
| Molecular Formula | C10H12ClNO3 |
| Exact Mass | 229.050571 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Kzje8j9GV9G |
|---|---|
| Name | 3,4-Methylenedioxycathinone hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.050570947 u |
| Formula | C10H12ClNO3 |
| InChI | InChI=1S/C10H11NO3.ClH/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8;/h2-4,6H,5,11H2,1H3;1H |
| InChIKey | VOQSBBVXFGPYKJ-UHFFFAOYSA-N |
| SMILES | Cl.NC(C(C1=CC=2OCOC2C=C1)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.934163 |