| SpectraBase Compound ID | CwZMdfaIrrV |
|---|---|
| InChI | InChI=1S/C13H19N/c1-14-10-6-5-9-13(14)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3 |
| InChIKey | OXIVWFPBZQTUTR-UHFFFAOYSA-N |
| Mol Weight | 189.3 g/mol |
| Molecular Formula | C13H19N |
| Exact Mass | 189.15175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I8c0yLvy5mO |
|---|---|
| Name | 2-Benzyl-1-methylpiperidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.151749616 u |
| Formula | C13H19N |
| InChI | InChI=1S/C13H19N/c1-14-10-6-5-9-13(14)11-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3 |
| InChIKey | OXIVWFPBZQTUTR-UHFFFAOYSA-N |
| Molecular Weight | 189.302 g/mol |
| SMILES | C1(N(CCCC1)C)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940541 |