| SpectraBase Compound ID | 9cc3FuaTuAm |
|---|---|
| InChI | InChI=1S/C18H18O7/c1-20-9-6-7-10(21-2)16-13(9)15(19)14-11(22-3)8-12(23-4)17(24-5)18(14)25-16/h6-8H,1-5H3 |
| InChIKey | NQHBRPANNYTLDN-UHFFFAOYSA-N |
| Mol Weight | 346.34 g/mol |
| Molecular Formula | C18H18O7 |
| Exact Mass | 346.105253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DQWcl6XBwDY |
|---|---|
| Name | Corymbiferin, 3me derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.105252913 u |
| Formula | C18H18O7 |
| InChI | InChI=1S/C18H18O7/c1-20-9-6-7-10(21-2)16-13(9)15(19)14-11(22-3)8-12(23-4)17(24-5)18(14)25-16/h6-8H,1-5H3 |
| InChIKey | NQHBRPANNYTLDN-UHFFFAOYSA-N |
| Molecular Weight | 346.335 g/mol |
| SMILES | C1=CC(=C2C(=C1OC)C(C1=C(O2)C(=C(C=C1OC)OC)OC)=O)OC |