| SpectraBase Compound ID | EmRc1hTeWqK |
|---|---|
| InChI | InChI=1S/C16H14O7/c1-20-11-6-8-13(19)12-9(18)4-7(17)5-10(12)23-14(8)16(22-3)15(11)21-2/h4-6,17-18H,1-3H3 |
| InChIKey | APOTZHGPVBZVHL-UHFFFAOYSA-N |
| Mol Weight | 318.28 g/mol |
| Molecular Formula | C16H14O7 |
| Exact Mass | 318.073953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3f3jlJTEX8z |
|---|---|
| Name | 1,3-Dihydroxy-5,6,7-trimethoxy-xanthone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.073952784 u |
| Formula | C16H14O7 |
| InChI | InChI=1S/C16H14O7/c1-20-11-6-8-13(19)12-9(18)4-7(17)5-10(12)23-14(8)16(22-3)15(11)21-2/h4-6,17-18H,1-3H3 |
| InChIKey | APOTZHGPVBZVHL-UHFFFAOYSA-N |
| Molecular Weight | 318.281 g/mol |
| SMILES | C1(C=2C(=CC(=CC2OC=2C(=C(C(=CC12)OC)OC)OC)O)O)=O |