| SpectraBase Compound ID | 52bhsK0RGRX |
|---|---|
| InChI | InChI=1S/C17H12O5/c1-2-22-17(21)9-7-12-14(13(18)8-9)16(20)11-6-4-3-5-10(11)15(12)19/h3-8,18H,2H2,1H3 |
| InChIKey | YQFJEFWJMPSIQP-UHFFFAOYSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C17H12O5 |
| Exact Mass | 296.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6O5bQdK8BoG |
|---|---|
| Name | 4-Hydroxy-9,10-diketo-anthracene-2-carboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.068473481 u |
| Formula | C17H12O5 |
| InChI | InChI=1S/C17H12O5/c1-2-22-17(21)9-7-12-14(13(18)8-9)16(20)11-6-4-3-5-10(11)15(12)19/h3-8,18H,2H2,1H3 |
| InChIKey | YQFJEFWJMPSIQP-UHFFFAOYSA-N |
| SMILES | C=12C(C(=O)C3=C(C2=O)C=CC=C3)=CC(=CC1O)C(=O)OCC |