| SpectraBase Compound ID | B7eIg4EJtwq |
|---|---|
| InChI | InChI=1S/C11H14FNO.ClH/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9;/h4-8,13H,3H2,1-2H3;1H |
| InChIKey | KSMMRYYEQUTTBB-UHFFFAOYSA-N |
| Mol Weight | 231.7 g/mol |
| Molecular Formula | C11H15ClFNO |
| Exact Mass | 231.08262 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | o7ZsR1vH2D |
|---|---|
| Name | 4-Fluoroethcathinone hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.082619969 u |
| Formula | C11H15ClFNO |
| InChI | InChI=1S/C11H14FNO.ClH/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9;/h4-8,13H,3H2,1-2H3;1H |
| InChIKey | KSMMRYYEQUTTBB-UHFFFAOYSA-N |
| Molecular Weight | 231.698 g/mol |
| SMILES | Cl.N(C(C(C1=CC=C(C=C1)F)=O)C)CC |
| Spectrum/Structure Validation Score (Raman) | 0.936033 |