| SpectraBase Compound ID | 888A0LMgdZ1 |
|---|---|
| InChI | InChI=1S/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-16-11(21-3)5-4-10(20-2)14(16)15(13)18/h4-7,17H,1-3H3 |
| InChIKey | WSRRHFFQNVXIKF-UHFFFAOYSA-N |
| Mol Weight | 302.28 g/mol |
| Molecular Formula | C16H14O6 |
| Exact Mass | 302.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9aUW0YUBBwr |
|---|---|
| Name | Xanthen-9-one, 1-hydroxy-3,5,8-trimethoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.079038165 u |
| Formula | C16H14O6 |
| InChI | InChI=1S/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-16-11(21-3)5-4-10(20-2)14(16)15(13)18/h4-7,17H,1-3H3 |
| InChIKey | WSRRHFFQNVXIKF-UHFFFAOYSA-N |
| Molecular Weight | 302.282 g/mol |
| SMILES | C12=C(C(=CC=C2OC)OC)C(C=2C(O1)=CC(=CC2O)OC)=O |