| SpectraBase Compound ID | 6nnEYroJdWZ |
|---|---|
| InChI | InChI=1S/C15H10O5/c16-10-5-4-8(6-12(10)18)13-7-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H |
| InChIKey | WHZXJVJVGGWZQI-UHFFFAOYSA-N |
| Mol Weight | 270.24 g/mol |
| Molecular Formula | C15H10O5 |
| Exact Mass | 270.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKqmCxkGI7H |
|---|---|
| Name | Thunberginol A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.052823417 u |
| Formula | C15H10O5 |
| InChI | InChI=1S/C15H10O5/c16-10-5-4-8(6-12(10)18)13-7-9-2-1-3-11(17)14(9)15(19)20-13/h1-7,16-18H |
| InChIKey | WHZXJVJVGGWZQI-UHFFFAOYSA-N |
| SMILES | C1(C=2C(=CC=CC2O)C=C(O1)C1=CC(O)=C(C=C1)O)=O |