| SpectraBase Compound ID | AHmYFenTXgO |
|---|---|
| InChI | InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-4,8H,1,5-7H2/b4-3+ |
| InChIKey | DAGXMELQLQNAGN-ONEGZZNKSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CIHT3979jlr |
|---|---|
| Name | (5E)-Octa-5,7-dienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-4,8H,1,5-7H2/b4-3+ |
| InChIKey | DAGXMELQLQNAGN-ONEGZZNKSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(\C=C\CCCC=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900962 |