| SpectraBase Compound ID | 5TFVAlWWr75 |
|---|---|
| InChI | InChI=1S/C16H12O5/c1-7(17)10-6-11(18)12-13(16(10)21)15(20)9-5-3-2-4-8(9)14(12)19/h2-7,17-18,21H,1H3 |
| InChIKey | PAKYKQMBPXYCGO-UHFFFAOYSA-N |
| Mol Weight | 284.27 g/mol |
| Molecular Formula | C16H12O5 |
| Exact Mass | 284.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hf0TMTknDY |
|---|---|
| Name | 1,4-Dihydroxy-2-(1-hydroxyethyl)-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.068473481 u |
| Formula | C16H12O5 |
| InChI | InChI=1S/C16H12O5/c1-7(17)10-6-11(18)12-13(16(10)21)15(20)9-5-3-2-4-8(9)14(12)19/h2-7,17-18,21H,1H3 |
| InChIKey | PAKYKQMBPXYCGO-UHFFFAOYSA-N |
| SMILES | C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C=C(C1O)C(O)C |