| SpectraBase Compound ID | 2lyMQhunsJC |
|---|---|
| InChI | InChI=1S/C7H8O3/c1-4-3-6(8)7(9)5(2)10-4/h3,9H,1-2H3 |
| InChIKey | XDEZVFBBUCLCGZ-UHFFFAOYSA-N |
| Mol Weight | 140.14 g/mol |
| Molecular Formula | C7H8O3 |
| Exact Mass | 140.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4w4emO3HiN2 |
|---|---|
| Name | 4H-Pyran-4-one, 3-hydroxy-2,6-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.047344115 u |
| Formula | C7H8O3 |
| InChI | InChI=1S/C7H8O3/c1-4-3-6(8)7(9)5(2)10-4/h3,9H,1-2H3 |
| InChIKey | XDEZVFBBUCLCGZ-UHFFFAOYSA-N |
| Molecular Weight | 140.138 g/mol |
| SMILES | C=1(O)C(=O)C=C(OC1C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950444 |