| SpectraBase Compound ID | JbyIISrgGnY |
|---|---|
| InChI | InChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3 |
| InChIKey | VUEWBPBFUKIDKK-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 | ChJwkmDgjJO |
|---|---|
| Name | 1-Benzyl-3-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/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3 |
| InChIKey | VUEWBPBFUKIDKK-UHFFFAOYSA-N |
| Molecular Weight | 189.302 g/mol |
| SMILES | C1CCC(CN1CC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942635 |