| SpectraBase Compound ID | D8Qj5M898Sy |
|---|---|
| InChI | InChI=1S/C12H18N2.2ClH.H2O/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;;/h1-5,12H,6-10,13H2;2*1H;1H2 |
| InChIKey | SYKOEWPZVHCXCW-UHFFFAOYSA-N |
| Mol Weight | 281.23 g/mol |
| Molecular Formula | C12H22Cl2N2O |
| Exact Mass | 280.110919 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FwAyFx6LHEx |
|---|---|
| Name | 4-Amino-1-benzylpiperidine, dihydrochloride, hydrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.110918735 u |
| Formula | C12H22Cl2N2O |
| InChI | InChI=1S/C12H18N2.2ClH.H2O/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;;/h1-5,12H,6-10,13H2;2*1H;1H2 |
| InChIKey | SYKOEWPZVHCXCW-UHFFFAOYSA-N |
| SMILES | NC1CCN(CC2=CC=CC=C2)CC1.Cl.Cl.O |
| Spectrum/Structure Validation Score (Raman) | 0.966441 |