| SpectraBase Compound ID | JXPPXwUbS0n |
|---|---|
| InChI | InChI=1S/C17H12O4/c1-9-7-13-15(14(8-9)21-10(2)18)17(20)12-6-4-3-5-11(12)16(13)19/h3-8H,1-2H3 |
| InChIKey | NFQMSEYIAHXEMF-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C17H12O4 |
| Exact Mass | 280.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8l9SjEgEOaX |
|---|---|
| Name | 1-Hydroxy-3-methylanthraquinone, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.073558862 u |
| Formula | C17H12O4 |
| InChI | InChI=1S/C17H12O4/c1-9-7-13-15(14(8-9)21-10(2)18)17(20)12-6-4-3-5-11(12)16(13)19/h3-8H,1-2H3 |
| InChIKey | NFQMSEYIAHXEMF-UHFFFAOYSA-N |
| SMILES | C1(OC(C)=O)=C2C(=CC(=C1)C)C(=O)C=1C(C2=O)=CC=CC1 |