| SpectraBase Compound ID | EtnTEudutfo |
|---|---|
| InChI | InChI=1S/C18H14O5/c1-9-7-8-12-15(18(9)23-10(2)19)17(21)11-5-4-6-13(22-3)14(11)16(12)20/h4-8H,1-3H3 |
| InChIKey | AYPGUUOGUZWYCN-UHFFFAOYSA-N |
| Mol Weight | 310.31 g/mol |
| Molecular Formula | C18H14O5 |
| Exact Mass | 310.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xVeujlKNk3 |
|---|---|
| Name | 1-Acetoxy-2-methyl-5-methoxyanthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.084123546 u |
| Formula | C18H14O5 |
| InChI | InChI=1S/C18H14O5/c1-9-7-8-12-15(18(9)23-10(2)19)17(21)11-5-4-6-13(22-3)14(11)16(12)20/h4-8H,1-3H3 |
| InChIKey | AYPGUUOGUZWYCN-UHFFFAOYSA-N |
| Molecular Weight | 310.305 g/mol |
| SMILES | C=12C(C=3C=CC=C(C3C(C2=CC=C(C1OC(=O)C)C)=O)OC)=O |