| SpectraBase Compound ID | KgUfcxHqSss |
|---|---|
| InChI | InChI=1S/C6H8O4/c7-4-1-2-10-5(3-4)6(8)9/h5H,1-3H2,(H,8,9) |
| InChIKey | BYCCHEBOFRPHMM-UHFFFAOYSA-N |
| Mol Weight | 144.13 g/mol |
| Molecular Formula | C6H8O4 |
| Exact Mass | 144.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3lh0QvhW2dv |
|---|---|
| Name | 4-Oxotetrahydropyran-2-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.042258734 u |
| Formula | C6H8O4 |
| InChI | InChI=1S/C6H8O4/c7-4-1-2-10-5(3-4)6(8)9/h5H,1-3H2,(H,8,9) |
| InChIKey | BYCCHEBOFRPHMM-UHFFFAOYSA-N |
| Molecular Weight | 144.126 g/mol |
| SMILES | C(=O)(C1OCCC(C1)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92187 |