| SpectraBase Compound ID | 9Hf677vJo3c |
|---|---|
| InChI | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3 |
| InChIKey | DRRWBCNQOKKKOL-UHFFFAOYSA-N |
| Mol Weight | 344.32 g/mol |
| Molecular Formula | C18H16O7 |
| Exact Mass | 344.089603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | La7vQK4v8mj |
|---|---|
| Name | Eupatilin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.089602848 u |
| Formula | C18H16O7 |
| InChI | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3 |
| InChIKey | DRRWBCNQOKKKOL-UHFFFAOYSA-N |
| Molecular Weight | 344.319 g/mol |
| SMILES | C12=C(C=C(C(=C2O)OC)O)OC(=CC1=O)C1=CC(=C(C=C1)OC)OC |