| SpectraBase Compound ID | KF5QNvIZ2Kv |
|---|---|
| InChI | InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5- |
| InChIKey | VWYBQOFZVSNDAW-WAYWQWQTSA-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 | LaFKLCcAj6I |
|---|---|
| Name | (5Z)-3-Octa-1,5-dienone |
| 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/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5- |
| InChIKey | VWYBQOFZVSNDAW-WAYWQWQTSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C=CC(C\C=C/CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912864 |