| SpectraBase Compound ID | JBZ1zqOIqJL |
|---|---|
| InChI | InChI=1S/C16H8O6/c17-13-9-2-1-3-10(16(21)22)12(9)14(18)8-5-4-7(15(19)20)6-11(8)13/h1-6H,(H,19,20)(H,21,22) |
| InChIKey | REZXKJZMMULMJE-UHFFFAOYSA-N |
| Mol Weight | 296.23 g/mol |
| Molecular Formula | C16H8O6 |
| Exact Mass | 296.032088 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J7FUomdEZTe |
|---|---|
| Name | Anthraquinone-1,6-dicarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.032087972 u |
| Formula | C16H8O6 |
| InChI | InChI=1S/C16H8O6/c17-13-9-2-1-3-10(16(21)22)12(9)14(18)8-5-4-7(15(19)20)6-11(8)13/h1-6H,(H,19,20)(H,21,22) |
| InChIKey | REZXKJZMMULMJE-UHFFFAOYSA-N |
| Molecular Weight | 296.234 g/mol |
| SMILES | C=12C(C=3C=CC(=CC3C(C2=CC=CC1C(=O)O)=O)C(=O)O)=O |