| SpectraBase Compound ID | 8DyXvHpN76l |
|---|---|
| InChI | InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2,4-8H,1,3H2/b5-4+,7-6- |
| InChIKey | VEIAVWGDUXTGOR-DEQVHDEQSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C8H10O |
| Exact Mass | 122.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KrzA8CEDWdP |
|---|---|
| Name | 2,4,7-Octatrienal, (Z,E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.073164941 u |
| Formula | C8H10O |
| InChI | InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2,4-8H,1,3H2/b5-4+,7-6- |
| InChIKey | VEIAVWGDUXTGOR-DEQVHDEQSA-N |
| Molecular Weight | 122.167 g/mol |
| SMILES | C(\C=C\C=C/C=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946409 |