| SpectraBase Compound ID | B2VIyi43mvn |
|---|---|
| InChI | InChI=1S/C7H6O5/c1-3-6(7(10)11)4(8)2-5(9)12-3/h2,8H,1H3,(H,10,11) |
| InChIKey | INZJJDXIUXWKGG-UHFFFAOYSA-N |
| Mol Weight | 170.12 g/mol |
| Molecular Formula | C7H6O5 |
| Exact Mass | 170.021523 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ehdpBi5cXI |
|---|---|
| Name | 2H-Pyran-5-carboxylic acid, 4-hydroxy-6-methyl-2-oxo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.021523288 u |
| Formula | C7H6O5 |
| InChI | InChI=1S/C7H6O5/c1-3-6(7(10)11)4(8)2-5(9)12-3/h2,8H,1H3,(H,10,11) |
| InChIKey | INZJJDXIUXWKGG-UHFFFAOYSA-N |
| Molecular Weight | 170.120 g/mol |
| SMILES | C=1(C(=CC(OC1C)=O)O)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992794 |