| SpectraBase Compound ID | DbtVbh5vpUq |
|---|---|
| InChI | InChI=1S/C11H19NO/c1-3-5-6-7-8-9-11(13)12-10-4-2/h3,5,8-9H,4,6-7,10H2,1-2H3,(H,12,13)/b5-3+,9-8+ |
| InChIKey | OINLEGNADDIQRJ-YEQUJYSKSA-N |
| Mol Weight | 181.28 g/mol |
| Molecular Formula | C11H19NO |
| Exact Mass | 181.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | INlXKTbGTXh |
|---|---|
| Name | (2E,6E)-N-Propylocta-2,6-dienamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.146664235 u |
| Formula | C11H19NO |
| InChI | InChI=1S/C11H19NO/c1-3-5-6-7-8-9-11(13)12-10-4-2/h3,5,8-9H,4,6-7,10H2,1-2H3,(H,12,13)/b5-3+,9-8+ |
| InChIKey | OINLEGNADDIQRJ-YEQUJYSKSA-N |
| Molecular Weight | 181.279 g/mol |
| SMILES | C(\C=C\CC\C=C\C)(=O)NCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956229 |