| SpectraBase Compound ID | 46fUKA1sJSy |
|---|---|
| InChI | InChI=1S/C7H8O2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3 |
| InChIKey | IZGCTLQCDWLKDE-UHFFFAOYSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E4N9XVtQoJC |
|---|---|
| Name | 3,5-Dimethyl-2-pyranone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c1-5-3-6(2)7(8)9-4-5/h3-4H,1-2H3 |
| InChIKey | IZGCTLQCDWLKDE-UHFFFAOYSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | C1(C(=CC(=CO1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840872 |