| SpectraBase Compound ID | 9ZXI0O6JqHL |
|---|---|
| InChI | InChI=1S/C12H15NO.ClH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10H2;1H |
| InChIKey | OVWSFXNSJDMRPV-UHFFFAOYSA-N |
| Mol Weight | 225.72 g/mol |
| Molecular Formula | C12H16ClNO |
| Exact Mass | 225.092042 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | kcZdThQ2N2 |
|---|---|
| Name | 1-Benzyl-3-piperidone hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.092041838 u |
| Formula | C12H16ClNO |
| InChI | InChI=1S/C12H15NO.ClH/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6H,4,7-10H2;1H |
| InChIKey | OVWSFXNSJDMRPV-UHFFFAOYSA-N |
| Molecular Weight | 225.719 g/mol |
| SMILES | Cl.C=1C(=CC=CC1)CN1CC(CCC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.954218 |