| SpectraBase Compound ID | DY3WMuX9tMf |
|---|---|
| InChI | InChI=1S/C20H14O8/c1-9(21)26-13-6-4-5-12-16(13)20(25)18-15(28-11(3)23)8-7-14(27-10(2)22)17(18)19(12)24/h4-8H,1-3H3 |
| InChIKey | SRKUTLVNIVHQBV-UHFFFAOYSA-N |
| Mol Weight | 382.32 g/mol |
| Molecular Formula | C20H14O8 |
| Exact Mass | 382.068867 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FLoFvk2wDXR |
|---|---|
| Name | 1,4,5-Triacetoxy-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.068867403 u |
| Formula | C20H14O8 |
| InChI | InChI=1S/C20H14O8/c1-9(21)26-13-6-4-5-12-16(13)20(25)18-15(28-11(3)23)8-7-14(27-10(2)22)17(18)19(12)24/h4-8H,1-3H3 |
| InChIKey | SRKUTLVNIVHQBV-UHFFFAOYSA-N |
| Molecular Weight | 382.324 g/mol |
| SMILES | C=1(C=CC(=C2C(C=3C(=CC=CC3C(C12)=O)OC(=O)C)=O)OC(=O)C)OC(=O)C |