| SpectraBase Compound ID | 2253t4dkSBD |
|---|---|
| InChI | InChI=1S/C17H14O5/c1-20-12-8-11-13(17(22-3)16(12)21-2)15(19)10-7-5-4-6-9(10)14(11)18/h4-8H,1-3H3 |
| InChIKey | SODIHNOHBGHBIQ-UHFFFAOYSA-N |
| Mol Weight | 298.29 g/mol |
| Molecular Formula | C17H14O5 |
| Exact Mass | 298.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJFfR2ORMeK |
|---|---|
| Name | 1,3-Dihydroxy-2-methoxyanthraquinone, dimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.084123546 u |
| Formula | C17H14O5 |
| InChI | InChI=1S/C17H14O5/c1-20-12-8-11-13(17(22-3)16(12)21-2)15(19)10-7-5-4-6-9(10)14(11)18/h4-8H,1-3H3 |
| InChIKey | SODIHNOHBGHBIQ-UHFFFAOYSA-N |
| Molecular Weight | 298.294 g/mol |
| SMILES | C1=CC=C2C(=C1)C(=O)C1=C(C2=O)C=C(C(=C1OC)OC)OC |