| SpectraBase Compound ID | 6VUu7g9lMmy |
|---|---|
| InChI | InChI=1S/C10H20ClN/c1-2-10-4-8-12(9-5-10)7-3-6-11/h10H,2-9H2,1H3 |
| InChIKey | JMYSBHDJDVTOKI-UHFFFAOYSA-N |
| Mol Weight | 189.73 g/mol |
| Molecular Formula | C10H20ClN |
| Exact Mass | 189.128427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4d66iZlfa0M |
|---|---|
| Name | 1-(3-Chloropropyl)-4-ethylpiperidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.128427348 u |
| Formula | C10H20ClN |
| InChI | InChI=1S/C10H20ClN/c1-2-10-4-8-12(9-5-10)7-3-6-11/h10H,2-9H2,1H3 |
| InChIKey | JMYSBHDJDVTOKI-UHFFFAOYSA-N |
| Molecular Weight | 189.730 g/mol |
| SMILES | C1N(CCC(C1)CC)CCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964304 |