| SpectraBase Compound ID | CAjsOMbA15k |
|---|---|
| InChI | InChI=1S/C17H12O7/c1-24-6-11(20)14-10(19)5-8-13(17(14)23)15(21)7-3-2-4-9(18)12(7)16(8)22/h2-5,18-19,23H,6H2,1H3 |
| InChIKey | RWTACFJWTIWJRC-UHFFFAOYSA-N |
| Mol Weight | 328.28 g/mol |
| Molecular Formula | C17H12O7 |
| Exact Mass | 328.058303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KW4xe5Xo3dg |
|---|---|
| Name | 2-(Methoxyacetyl)-1,3,5-trihydroxyanthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.058302719 u |
| Formula | C17H12O7 |
| InChI | InChI=1S/C17H12O7/c1-24-6-11(20)14-10(19)5-8-13(17(14)23)15(21)7-3-2-4-9(18)12(7)16(8)22/h2-5,18-19,23H,6H2,1H3 |
| InChIKey | RWTACFJWTIWJRC-UHFFFAOYSA-N |
| Molecular Weight | 328.276 g/mol |
| SMILES | C=1(C(=C(C=C2C(=O)C=3C(=CC=CC3C(=O)C12)O)O)C(=O)COC)O |