| SpectraBase Compound ID | 2DGN6P3Ovua |
|---|---|
| InChI | InChI=1S/C15H10O5/c1-6-4-8-11(10(17)5-6)13(18)7-2-3-9(16)15(20)12(7)14(8)19/h2-5,16-17,20H,1H3 |
| InChIKey | CKZKPLDOQWIFKS-UHFFFAOYSA-N |
| Mol Weight | 270.24 g/mol |
| Molecular Formula | C15H10O5 |
| Exact Mass | 270.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SlhgbdXpT4 |
|---|---|
| Name | 1,2,5-Trihydroxy-7-methyl-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.052823417 u |
| Formula | C15H10O5 |
| InChI | InChI=1S/C15H10O5/c1-6-4-8-11(10(17)5-6)13(18)7-2-3-9(16)15(20)12(7)14(8)19/h2-5,16-17,20H,1H3 |
| InChIKey | CKZKPLDOQWIFKS-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC=C2C(C=3C(=CC(=CC3C(C12)=O)C)O)=O)O)O |