![3,6,13,16-Tetraoxatricyclo[16.2.2.2(8,11)]tetracosa-8,10,18,20,21,23-hexaene-2,7,12,17-tetrone](/api/spectrum/JEXFSIEoHFx/structure.png?h=300&w=458 "3,6,13,16-Tetraoxatricyclo[16.2.2.2(8,11)]tetracosa-8,10,18,20,21,23-hexaene-2,7,12,17-tetrone")
| SpectraBase Compound ID | 8nYF23gPiec |
|---|---|
| InChI | InChI=1S/C20H16O8/c21-17-13-1-2-14(4-3-13)18(22)26-11-12-28-20(24)16-7-5-15(6-8-16)19(23)27-10-9-25-17/h1-8H,9-12H2 |
| InChIKey | NFFNGYZBZAPKKE-UHFFFAOYSA-N |
| Mol Weight | 384.34 g/mol |
| Molecular Formula | C20H16O8 |
| Exact Mass | 384.084517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JEXFSIEoHFx |
|---|---|
| Name | 3,6,13,16-Tetraoxatricyclo[16.2.2.2(8,11)]tetracosa-8,10,18,20,21,23-hexaene-2,7,12,17-tetrone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.084517467 u |
| Formula | C20H16O8 |
| InChI | InChI=1S/C20H16O8/c21-17-13-1-2-14(4-3-13)18(22)26-11-12-28-20(24)16-7-5-15(6-8-16)19(23)27-10-9-25-17/h1-8H,9-12H2 |
| InChIKey | NFFNGYZBZAPKKE-UHFFFAOYSA-N |
| Molecular Weight | 384.340 g/mol |
| SMILES | C1(OCCOC(C2=CC=C(C(OCCOC(C3=CC=C1C=C3)=O)=O)C=C2)=O)=O |