| SpectraBase Compound ID | 8ff28RcRaCQ |
|---|---|
| InChI | InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H |
| InChIKey | KBQFPPUAIJHDCO-UHFFFAOYSA-N |
| Mol Weight | 212.2 g/mol |
| Molecular Formula | C13H8O3 |
| Exact Mass | 212.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FGS6WkPzgQQ |
|---|---|
| Name | 4-Hydroxyxanthon |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.047344115 u |
| Formula | C13H8O3 |
| InChI | InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H |
| InChIKey | KBQFPPUAIJHDCO-UHFFFAOYSA-N |
| Molecular Weight | 212.204 g/mol |
| SMILES | C1(O)=CC=CC2=C1OC1=CC=CC=C1C2=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937318 |