| SpectraBase Compound ID | 80DZFqksWrF |
|---|---|
| InChI | InChI=1S/C9H10O3/c1-3-4-11-8-5-7(2)12-9(10)6-8/h3,5-6H,1,4H2,2H3 |
| InChIKey | XXSHTDFPNJUUSY-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C9H10O3 |
| Exact Mass | 166.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fkn4JZk2pzx |
|---|---|
| Name | 4-Allyloxy-6-methyl-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.062994179 u |
| Formula | C9H10O3 |
| InChI | InChI=1S/C9H10O3/c1-3-4-11-8-5-7(2)12-9(10)6-8/h3,5-6H,1,4H2,2H3 |
| InChIKey | XXSHTDFPNJUUSY-UHFFFAOYSA-N |
| SMILES | C=1C(OC(=CC1OCC=C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835563 |