| SpectraBase Compound ID | 2KWACOAqiAf |
|---|---|
| InChI | InChI=1S/C13H27N/c1-3-5-6-7-9-13-11-8-10-12(4-2)14-13/h12-14H,3-11H2,1-2H3 |
| InChIKey | IUEYNUMPDFWHJV-UHFFFAOYSA-N |
| Mol Weight | 197.37 g/mol |
| Molecular Formula | C13H27N |
| Exact Mass | 197.21435 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DUFgd9XGsd5 |
|---|---|
| Name | 2-Hexyl-6-ethylpiperidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.214349873 u |
| Formula | C13H27N |
| InChI | InChI=1S/C13H27N/c1-3-5-6-7-9-13-11-8-10-12(4-2)14-13/h12-14H,3-11H2,1-2H3 |
| InChIKey | IUEYNUMPDFWHJV-UHFFFAOYSA-N |
| Molecular Weight | 197.366 g/mol |
| SMILES | C1(NC(CCC1)CC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932246 |