| SpectraBase Compound ID | CA3J6FgV1wq |
|---|---|
| InChI | InChI=1S/C13H25NO/c1-3-5-7-8-9-11-13(15)14-12-10-6-4-2/h8-9H,3-7,10-12H2,1-2H3,(H,14,15)/b9-8+ |
| InChIKey | WDZXDDZPQVMJIW-CMDGGOBGSA-N |
| Mol Weight | 211.35 g/mol |
| Molecular Formula | C13H25NO |
| Exact Mass | 211.193614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ASbcn7HHi6 |
|---|---|
| Name | oct-3-Enoylamide, N-pentyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.193614428 u |
| Formula | C13H25NO |
| InChI | InChI=1S/C13H25NO/c1-3-5-7-8-9-11-13(15)14-12-10-6-4-2/h8-9H,3-7,10-12H2,1-2H3,(H,14,15)/b9-8+ |
| InChIKey | WDZXDDZPQVMJIW-CMDGGOBGSA-N |
| Molecular Weight | 211.349 g/mol |
| SMILES | C(NCCCCC)(=O)C\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993862 |