| SpectraBase Compound ID | 5K0Qg94iBnx |
|---|---|
| InChI | InChI=1S/C9H6O4/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,10-11H |
| InChIKey | ORMYACLDZGAWNY-UHFFFAOYSA-N |
| Mol Weight | 178.14 g/mol |
| Molecular Formula | C9H6O4 |
| Exact Mass | 178.026609 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KTBK9Lxe7i9 |
|---|---|
| Name | 4,6-Dihydroxycoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.026608669 u |
| Formula | C9H6O4 |
| InChI | InChI=1S/C9H6O4/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,10-11H |
| InChIKey | ORMYACLDZGAWNY-UHFFFAOYSA-N |
| Molecular Weight | 178.143 g/mol |
| SMILES | C1(=O)C=C(O)C2=CC(O)=CC=C2O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937983 |