| SpectraBase Compound ID | LmyKuCaUAiZ |
|---|---|
| InChI | InChI=1S/C18H12O7/c1-8(19)24-13-5-6-14(25-9(2)20)16-15(13)17(22)11-4-3-10(21)7-12(11)18(16)23/h3-7,21H,1-2H3 |
| InChIKey | SUGUBWDEGUDBLL-UHFFFAOYSA-N |
| Mol Weight | 340.29 g/mol |
| Molecular Formula | C18H12O7 |
| Exact Mass | 340.058303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KSFVoEp5VRo |
|---|---|
| Name | 1,4-Diacetoxy-6-hydroxy-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.058302719 u |
| Formula | C18H12O7 |
| InChI | InChI=1S/C18H12O7/c1-8(19)24-13-5-6-14(25-9(2)20)16-15(13)17(22)11-4-3-10(21)7-12(11)18(16)23/h3-7,21H,1-2H3 |
| InChIKey | SUGUBWDEGUDBLL-UHFFFAOYSA-N |
| Molecular Weight | 340.287 g/mol |
| SMILES | C=1(C=CC(=C2C(C=3C=C(C=CC3C(C12)=O)O)=O)OC(=O)C)OC(=O)C |