| SpectraBase Compound ID | XnW4b9m7Vp |
|---|---|
| InChI | InChI=1S/C15H14O4/c1-7-2-3-8-9(6-7)15(19)13-11(17)5-4-10(16)12(13)14(8)18/h2,4-5,8-9,16-17H,3,6H2,1H3 |
| InChIKey | KDRJFQCQWVBCJS-UHFFFAOYSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C15H14O4 |
| Exact Mass | 258.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4efY4qET6o6 |
|---|---|
| Name | (4Ars,9asr)-5,8-dihydroxy-3-methyl-1,4,4A,9A-tetrahydro-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.089208927 u |
| Formula | C15H14O4 |
| InChI | InChI=1S/C15H14O4/c1-7-2-3-8-9(6-7)15(19)13-11(17)5-4-10(16)12(13)14(8)18/h2,4-5,8-9,16-17H,3,6H2,1H3 |
| InChIKey | KDRJFQCQWVBCJS-UHFFFAOYSA-N |
| Molecular Weight | 258.273 g/mol |
| SMILES | C=12C(C(=O)C3C(C2=O)CC(=CC3)C)=C(O)C=CC1O |