| SpectraBase Compound ID | LHD7YfCaPgv |
|---|---|
| InChI | InChI=1S/C16H10O5/c1-21-16(20)8-5-6-9-11(7-8)15(19)13-10(14(9)18)3-2-4-12(13)17/h2-7,17H,1H3 |
| InChIKey | ZDIPCNPMHFKVQK-UHFFFAOYSA-N |
| Mol Weight | 282.25 g/mol |
| Molecular Formula | C16H10O5 |
| Exact Mass | 282.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BQ3BrllaLCR |
|---|---|
| Name | 8-Hydroxy-9,10-diketo-anthracene-2-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.052823417 u |
| Formula | C16H10O5 |
| InChI | InChI=1S/C16H10O5/c1-21-16(20)8-5-6-9-11(7-8)15(19)13-10(14(9)18)3-2-4-12(13)17/h2-7,17H,1H3 |
| InChIKey | ZDIPCNPMHFKVQK-UHFFFAOYSA-N |
| Molecular Weight | 282.251 g/mol |
| SMILES | C=1(C=CC=C2C(=O)C=3C=CC(=CC3C(=O)C12)C(=O)OC)O |