| SpectraBase Compound ID | cJf2dPK00s |
|---|---|
| InChI | InChI=1S/C19H14O7/c1-9(20)25-14-8-13-15(19(18(14)24-3)26-10(2)21)17(23)12-7-5-4-6-11(12)16(13)22/h4-8H,1-3H3 |
| InChIKey | UPGLPXITMHKEQZ-UHFFFAOYSA-N |
| Mol Weight | 354.31 g/mol |
| Molecular Formula | C19H14O7 |
| Exact Mass | 354.073953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Xxq40DhfpH |
|---|---|
| Name | 1,3-Dihydroxy-2-methoxyanthraquinone, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.073952784 u |
| Formula | C19H14O7 |
| InChI | InChI=1S/C19H14O7/c1-9(20)25-14-8-13-15(19(18(14)24-3)26-10(2)21)17(23)12-7-5-4-6-11(12)16(13)22/h4-8H,1-3H3 |
| InChIKey | UPGLPXITMHKEQZ-UHFFFAOYSA-N |
| Molecular Weight | 354.314 g/mol |
| SMILES | C1=CC=C2C(=C1)C(=O)C1=C(C2=O)C=C(C(=C1OC(=O)C)OC)OC(=O)C |