| SpectraBase Compound ID | 4KwsTpMClgr |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-2-3-5-8(10)6-4-7-9/h4,6-7H,2-3,5H2,1H3/b6-4+ |
| InChIKey | KKCMFNUPOSVKRS-GQCTYLIASA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5E2mcgeMVAl |
|---|---|
| Name | 4-oxo-Trans-2-octenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-2-3-5-8(10)6-4-7-9/h4,6-7H,2-3,5H2,1H3/b6-4+ |
| InChIKey | KKCMFNUPOSVKRS-GQCTYLIASA-N |
| SMILES | CCCCC(\C=C\C=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961223 |