| SpectraBase Compound ID | Fj2KrNKHSBA |
|---|---|
| InChI | InChI=1S/C13H27N/c1-4-7-8-10-14-11-9-13(5-2,6-3)12-14/h4-12H2,1-3H3 |
| InChIKey | MHKMOCQEUQKMTJ-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 | D3TO7xA8a0k |
|---|---|
| Name | Pyrrolidine, 3,3-diethyl-1-pentyl- |
| 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/c1-4-7-8-10-14-11-9-13(5-2,6-3)12-14/h4-12H2,1-3H3 |
| InChIKey | MHKMOCQEUQKMTJ-UHFFFAOYSA-N |
| Molecular Weight | 197.366 g/mol |
| SMILES | C1CC(CC)(CC)CN1CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947069 |