| SpectraBase Compound ID | L67209aQtom |
|---|---|
| InChI | InChI=1S/C21H18O8/c1-11(22)27-14-10-15(28-12(2)23)19(25-3)20-16(14)17(24)21(26-4)18(29-20)13-8-6-5-7-9-13/h5-10H,1-4H3 |
| InChIKey | WJFALGCABSSPIQ-UHFFFAOYSA-N |
| Mol Weight | 398.37 g/mol |
| Molecular Formula | C21H18O8 |
| Exact Mass | 398.100168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ipdtw6iSjLP |
|---|---|
| Name | Gnaphaliin, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.100167532 u |
| Formula | C21H18O8 |
| InChI | InChI=1S/C21H18O8/c1-11(22)27-14-10-15(28-12(2)23)19(25-3)20-16(14)17(24)21(26-4)18(29-20)13-8-6-5-7-9-13/h5-10H,1-4H3 |
| InChIKey | WJFALGCABSSPIQ-UHFFFAOYSA-N |
| Molecular Weight | 398.367 g/mol |
| SMILES | CC(=O)OC1=C2C(=O)C(OC)=C(C3=CC=CC=C3)OC2=C(OC)C(OC(C)=O)=C1 |