| SpectraBase Compound ID | Fgaoal6tWBV |
|---|---|
| InChI | InChI=1S/C13H8O5/c14-6-4-8(16)12-10(5-6)18-9-3-1-2-7(15)11(9)13(12)17/h1-5,14-16H |
| InChIKey | USKKTSTUBVKGIU-UHFFFAOYSA-N |
| Mol Weight | 244.2 g/mol |
| Molecular Formula | C13H8O5 |
| Exact Mass | 244.037173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACb0QPaVYMu |
|---|---|
| Name | 9H-Xanthen-9-one, 1,3,8-trihydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.037173353 u |
| Formula | C13H8O5 |
| InChI | InChI=1S/C13H8O5/c14-6-4-8(16)12-10(5-6)18-9-3-1-2-7(15)11(9)13(12)17/h1-5,14-16H |
| InChIKey | USKKTSTUBVKGIU-UHFFFAOYSA-N |
| Molecular Weight | 244.202 g/mol |
| SMILES | C1(=O)C2=C(OC3=C1C(O)=CC=C3)C=C(C=C2O)O |