| SpectraBase Compound ID | 4j2wwJwWeMd |
|---|---|
| InChI | InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-4H,5H2 |
| InChIKey | BQLSCAPEANVCOG-UHFFFAOYSA-N |
| Mol Weight | 162.14 g/mol |
| Molecular Formula | C9H6O3 |
| Exact Mass | 162.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1dnHDg7imlS |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 4-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.031694050 u |
| Formula | C9H6O3 |
| InChI | InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-4H,5H2 |
| InChIKey | BQLSCAPEANVCOG-UHFFFAOYSA-N |
| Molecular Weight | 162.144 g/mol |
| SMILES | C1(=O)C2=C(OC(C1)=O)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984563 |