| SpectraBase Compound ID | HeVAhNJGsl4 |
|---|---|
| InChI | InChI=1S/C16H12O4/c1-8-3-4-10-11(5-8)15(18)12-6-9(20-2)7-13(17)14(12)16(10)19/h3-7,17H,1-2H3 |
| InChIKey | IBTIVMOKTOHUFA-UHFFFAOYSA-N |
| Mol Weight | 268.27 g/mol |
| Molecular Formula | C16H12O4 |
| Exact Mass | 268.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tvwMrxJN80 |
|---|---|
| Name | 1-Hydroxy-3-methoxy-6-methylanthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.073558862 u |
| Formula | C16H12O4 |
| InChI | InChI=1S/C16H12O4/c1-8-3-4-10-11(5-8)15(18)12-6-9(20-2)7-13(17)14(12)16(10)19/h3-7,17H,1-2H3 |
| InChIKey | IBTIVMOKTOHUFA-UHFFFAOYSA-N |
| SMILES | C12=C(C=CC(=C2)C)C(C=2C(C1=O)=CC(=CC2O)OC)=O |