| SpectraBase Compound ID | IvQ1D5r6iL7 |
|---|---|
| InChI | InChI=1S/C16H12O6/c1-22-10-4-2-3-8-11(10)16(21)13-12(15(8)20)9(18)5-7(6-17)14(13)19/h2-5,17-19H,6H2,1H3 |
| InChIKey | WFGUAOFPUAJEFK-UHFFFAOYSA-N |
| Mol Weight | 300.27 g/mol |
| Molecular Formula | C16H12O6 |
| Exact Mass | 300.063388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kg7iiMmIrmK |
|---|---|
| Name | 1,4-Dihydroxy-3-hydroxymethyl-5-methoxy-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.063388100 u |
| Formula | C16H12O6 |
| InChI | InChI=1S/C16H12O6/c1-22-10-4-2-3-8-11(10)16(21)13-12(15(8)20)9(18)5-7(6-17)14(13)19/h2-5,17-19H,6H2,1H3 |
| InChIKey | WFGUAOFPUAJEFK-UHFFFAOYSA-N |
| SMILES | C1=CC(=C2C(C(=O)C=3C(=CC(=C(C3C2=O)O)CO)O)=C1)OC |