| SpectraBase Compound ID | 45nig1U4LOK |
|---|---|
| InChI | InChI=1S/C17H12O4/c1-2-5-9-8-12(18)13-14(15(9)19)17(21)11-7-4-3-6-10(11)16(13)20/h2-4,6-8,18-19H,1,5H2 |
| InChIKey | QSMHBEZMNDVDBU-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 | HQXmmnDXuvf |
|---|---|
| Name | 1,4-Dihydroxy-2-(prop-2'-enyl)anthraquinone |
| 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/c1-2-5-9-8-12(18)13-14(15(9)19)17(21)11-7-4-3-6-10(11)16(13)20/h2-4,6-8,18-19H,1,5H2 |
| InChIKey | QSMHBEZMNDVDBU-UHFFFAOYSA-N |
| SMILES | C=12C(C(=O)C=3C(C2=O)=CC=CC3)=C(O)C(=CC1O)CC=C |