| SpectraBase Compound ID | A3kzHf0FLkN |
|---|---|
| InChI | InChI=1S/C18H14O6/c1-10(19)23-15-6-4-3-5-12(15)16-9-14(21)18-13(20)7-11(22-2)8-17(18)24-16/h3-9,20H,1-2H3 |
| InChIKey | UMTYNMYSNANGLO-UHFFFAOYSA-N |
| Mol Weight | 326.3 g/mol |
| Molecular Formula | C18H14O6 |
| Exact Mass | 326.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UCOSMZkwVM |
|---|---|
| Name | Echioidinin, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.079038165 u |
| Formula | C18H14O6 |
| InChI | InChI=1S/C18H14O6/c1-10(19)23-15-6-4-3-5-12(15)16-9-14(21)18-13(20)7-11(22-2)8-17(18)24-16/h3-9,20H,1-2H3 |
| InChIKey | UMTYNMYSNANGLO-UHFFFAOYSA-N |
| Molecular Weight | 326.304 g/mol |
| SMILES | C(C)(=O)OC1=C(C=CC=C1)C1=CC(C2=C(C=C(C=C2O1)OC)O)=O |