| SpectraBase Compound ID | GEA2XHqfU4J |
|---|---|
| InChI | InChI=1S/C19H12O3/c20-10-11-5-6-14-15(7-11)19(22)17-9-13-4-2-1-3-12(13)8-16(17)18(14)21/h1-9,20H,10H2 |
| InChIKey | DIMGPLQGPVFZTF-UHFFFAOYSA-N |
| Mol Weight | 288.3 g/mol |
| Molecular Formula | C19H12O3 |
| Exact Mass | 288.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6iWRUsrHBdB |
|---|---|
| Name | 2-(Hydroxymethyl)-5,12-naphthacenequinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.078644243 u |
| Formula | C19H12O3 |
| InChI | InChI=1S/C19H12O3/c20-10-11-5-6-14-15(7-11)19(22)17-9-13-4-2-1-3-12(13)8-16(17)18(14)21/h1-9,20H,10H2 |
| InChIKey | DIMGPLQGPVFZTF-UHFFFAOYSA-N |
| SMILES | C12=C(C(=O)C=3C(C2=O)=CC(=CC3)CO)C=C2C(=C1)C=CC=C2 |