| SpectraBase Compound ID | JWNWWatPrNg |
|---|---|
| InChI | InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2H,3H2,1H3 |
| InChIKey | GYHBVAHWGBJKHA-UHFFFAOYSA-N |
| Mol Weight | 126.11 g/mol |
| Molecular Formula | C6H6O3 |
| Exact Mass | 126.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B90A5pF3Bn1 |
|---|---|
| Name | 6-Methyl-2,3-dihydropyran-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.031694050 u |
| Formula | C6H6O3 |
| InChI | InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2H,3H2,1H3 |
| InChIKey | GYHBVAHWGBJKHA-UHFFFAOYSA-N |
| Molecular Weight | 126.111 g/mol |
| SMILES | C1(=O)C=C(C)OC(=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.813525 |