| SpectraBase Compound ID | KTVOBySgyxE |
|---|---|
| InChI | InChI=1S/C13H8O4/c14-9-5-1-3-7-11(16)8-4-2-6-10(15)13(8)17-12(7)9/h1-6,14-15H |
| InChIKey | WITSQLHLOHLSRB-UHFFFAOYSA-N |
| Mol Weight | 228.2 g/mol |
| Molecular Formula | C13H8O4 |
| Exact Mass | 228.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9aqrOiw44fW |
|---|---|
| Name | 4,5-Dihydroxyxanthone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.042258734 u |
| Formula | C13H8O4 |
| InChI | InChI=1S/C13H8O4/c14-9-5-1-3-7-11(16)8-4-2-6-10(15)13(8)17-12(7)9/h1-6,14-15H |
| InChIKey | WITSQLHLOHLSRB-UHFFFAOYSA-N |
| Molecular Weight | 228.203 g/mol |
| SMILES | C1(C2=C(C(O)=CC=C2)OC2=C1C=CC=C2O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903894 |