| SpectraBase Compound ID | BM2ilwd3XpP |
|---|---|
| InChI | InChI=1S/C13H8O7/c14-4-1-6(15)9-8(2-4)20-13-5(10(9)17)3-7(16)11(18)12(13)19/h1-3,14-16,18-19H |
| InChIKey | ICIIODYTNZDXRN-UHFFFAOYSA-N |
| Mol Weight | 276.2 g/mol |
| Molecular Formula | C13H8O7 |
| Exact Mass | 276.027003 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | j1gItHMs4t |
|---|---|
| Name | 1,3,5,6,7-Pentahydroxy-9-xanthenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.027002591 u |
| Formula | C13H8O7 |
| InChI | InChI=1S/C13H8O7/c14-4-1-6(15)9-8(2-4)20-13-5(10(9)17)3-7(16)11(18)12(13)19/h1-3,14-16,18-19H |
| InChIKey | ICIIODYTNZDXRN-UHFFFAOYSA-N |
| SMILES | C1(C=2C(=CC(=CC2OC=2C(=C(C(=CC12)O)O)O)O)O)=O |