| SpectraBase Compound ID | ADRuLIE7Xpa |
|---|---|
| InChI | InChI=1S/C6H11NO.ClH.H2O/c1-7-4-2-6(8)3-5-7;;/h2-5H2,1H3;1H;1H2 |
| InChIKey | GLVXKMBVUONMNZ-UHFFFAOYSA-N |
| Mol Weight | 167.64 g/mol |
| Molecular Formula | C6H14ClNO2 |
| Exact Mass | 167.071306 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FMSkNRQCvjc |
|---|---|
| Name | 1-Methyl-4-piperidone, hydrochloride, hydrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.071306393 u |
| Formula | C6H14ClNO2 |
| InChI | InChI=1S/C6H11NO.ClH.H2O/c1-7-4-2-6(8)3-5-7;;/h2-5H2,1H3;1H;1H2 |
| InChIKey | GLVXKMBVUONMNZ-UHFFFAOYSA-N |
| Molecular Weight | 167.636 g/mol |
| SMILES | CN1CCC(=O)CC1.O.Cl |
| Spectrum/Structure Validation Score (Raman) | 0.984159 |