| SpectraBase Compound ID | EJRhjinJpvU |
|---|---|
| InChI | InChI=1S/C17H14O6/c1-7-4-8-12(10(18)5-7)14(19)9-6-11(22-2)17(23-3)16(21)13(9)15(8)20/h4-6,18,21H,1-3H3 |
| InChIKey | OIFSQSLLAAEXBZ-UHFFFAOYSA-N |
| Mol Weight | 314.29 g/mol |
| Molecular Formula | C17H14O6 |
| Exact Mass | 314.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3X0bAW0TEs |
|---|---|
| Name | 1,5-Dihydroxy-2,3-dimethoxy-7-methyl-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.079038165 u |
| Formula | C17H14O6 |
| InChI | InChI=1S/C17H14O6/c1-7-4-8-12(10(18)5-7)14(19)9-6-11(22-2)17(23-3)16(21)13(9)15(8)20/h4-6,18,21H,1-3H3 |
| InChIKey | OIFSQSLLAAEXBZ-UHFFFAOYSA-N |
| Molecular Weight | 314.293 g/mol |
| SMILES | C=1(C(=C(C=C2C(C=3C(=CC(=CC3C(C12)=O)C)O)=O)OC)OC)O |