| SpectraBase Compound ID | 3k0HyxXZMLF |
|---|---|
| InChI | InChI=1S/C6H4O4/c7-5-3-1-2-4(10-5)6(8)9/h1-3H,(H,8,9) |
| InChIKey | AUZCNXBFVCKKHV-UHFFFAOYSA-N |
| Mol Weight | 140.09 g/mol |
| Molecular Formula | C6H4O4 |
| Exact Mass | 140.010959 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DaDWYFM9k9g |
|---|---|
| Name | alpha-Pyrone-6-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.010958605 u |
| Formula | C6H4O4 |
| InChI | InChI=1S/C6H4O4/c7-5-3-1-2-4(10-5)6(8)9/h1-3H,(H,8,9) |
| InChIKey | AUZCNXBFVCKKHV-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990657 |