| SpectraBase Compound ID | 1OPUjIPLfP6 |
|---|---|
| InChI | InChI=1S/C10H8O3/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5,11H,1H3 |
| InChIKey | YYURGBCWIOCCFU-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Vhv0paAwYN |
|---|---|
| Name | 4H-1-Benzopyran-4-one, 6-hydroxy-2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5,11H,1H3 |
| InChIKey | YYURGBCWIOCCFU-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | C1(=O)C2=C(OC(=C1)C)C=CC(=C2)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82791 |