| SpectraBase Compound ID | MpL0bD3Uvt |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-8(10)6-4-3-5-7-9(2)11/h4,6H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | KRLWWWIBVSGXGK-GQCTYLIASA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D5Hk3ZnDtmw |
|---|---|
| Name | non-3-ene-2,8-Dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-8(10)6-4-3-5-7-9(2)11/h4,6H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | KRLWWWIBVSGXGK-GQCTYLIASA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | CC(=O)\C=C\CCCC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.995088 |