| SpectraBase Compound ID | 1zEGXlr1Zbj |
|---|---|
| InChI | InChI=1S/C18H14O5/c1-9(19)8-10-6-7-12-15(16(10)20)18(22)11-4-3-5-13(23-2)14(11)17(12)21/h3-7,20H,8H2,1-2H3 |
| InChIKey | PNJJBAFYQVHFLD-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 | DGFYUrWlTVk |
|---|---|
| Name | 1-Hydroxy-5-methoxy-2-(2-oxopropyl)anthracene-9,10-dione |
| 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(19)8-10-6-7-12-15(16(10)20)18(22)11-4-3-5-13(23-2)14(11)17(12)21/h3-7,20H,8H2,1-2H3 |
| InChIKey | PNJJBAFYQVHFLD-UHFFFAOYSA-N |
| Molecular Weight | 310.305 g/mol |
| SMILES | C=12C(C=3C=CC=C(C3C(C2=CC=C(C1O)CC(=O)C)=O)OC)=O |