| SpectraBase Compound ID | GDWnJcgmf86 |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-3-5-7-8-9-10-12(14)13-11-6-4-2/h8-9H,3-7,10-11H2,1-2H3,(H,13,14)/b9-8+ |
| InChIKey | HKGNGQIYHSCJGM-CMDGGOBGSA-N |
| Mol Weight | 197.32 g/mol |
| Molecular Formula | C12H23NO |
| Exact Mass | 197.177964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ijs5AnkpJQ7 |
|---|---|
| Name | oct-3-Enoylamide, N-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.177964364 u |
| Formula | C12H23NO |
| InChI | InChI=1S/C12H23NO/c1-3-5-7-8-9-10-12(14)13-11-6-4-2/h8-9H,3-7,10-11H2,1-2H3,(H,13,14)/b9-8+ |
| InChIKey | HKGNGQIYHSCJGM-CMDGGOBGSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C(NCCCC)(=O)C\C=C\CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993433 |