| SpectraBase Compound ID | 3XAeUt1lzWh |
|---|---|
| InChI | InChI=1S/C12H17NO.ClH/c1-8-5-6-11(9(2)7-8)12(14)10(3)13-4;/h5-7,10,13H,1-4H3;1H |
| InChIKey | BPRSXBIUAIICOM-UHFFFAOYSA-N |
| Mol Weight | 227.73 g/mol |
| Molecular Formula | C12H18ClNO |
| Exact Mass | 227.107692 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E3moqN0YJyx |
|---|---|
| Name | 2,4-Dimethylmethcathinone hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.107691903 u |
| Formula | C12H18ClNO |
| InChI | InChI=1S/C12H17NO.ClH/c1-8-5-6-11(9(2)7-8)12(14)10(3)13-4;/h5-7,10,13H,1-4H3;1H |
| InChIKey | BPRSXBIUAIICOM-UHFFFAOYSA-N |
| Molecular Weight | 227.735 g/mol |
| SMILES | N(C(C(C1=CC=C(C=C1C)C)=O)C)C.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.871385 |