| SpectraBase Compound ID | 7JYtQjpg6xk |
|---|---|
| InChI | InChI=1S/C17H14O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-7,18-21H,2H2,1H3 |
| InChIKey | LCYTUQNPPBLNJZ-UHFFFAOYSA-N |
| Mol Weight | 314.29 g/mol |
| Molecular Formula | C17H14O6 |
| Exact Mass | 314.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dg7QNkl14Xh |
|---|---|
| Name | 1,3,8-Trihydroxy-6-(2-hydroxypropyl)-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.079038165 u |
| Formula | C17H14O6 |
| InChI | InChI=1S/C17H14O6/c1-7(18)2-8-3-10-14(12(20)4-8)17(23)15-11(16(10)22)5-9(19)6-13(15)21/h3-7,18-21H,2H2,1H3 |
| InChIKey | LCYTUQNPPBLNJZ-UHFFFAOYSA-N |
| Molecular Weight | 314.293 g/mol |
| SMILES | C1(C2=C(C=C(C=C2O)O)C(C=2C1=C(C=C(CC(O)C)C2)O)=O)=O |