| SpectraBase Compound ID | IsPOAsP2fyR |
|---|---|
| InChI | InChI=1S/C18H12O4/c1-9-3-2-4-12-11(9)5-6-13-15(12)17(21)16(20)14-10(7-19)8-22-18(13)14/h2-6,8,19H,7H2,1H3 |
| InChIKey | CETREAVXUDHZGK-UHFFFAOYSA-N |
| Mol Weight | 292.29 g/mol |
| Molecular Formula | C18H12O4 |
| Exact Mass | 292.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZvCPrUkrTs |
|---|---|
| Name | Przewaquinone B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.073558862 u |
| Formula | C18H12O4 |
| InChI | InChI=1S/C18H12O4/c1-9-3-2-4-12-11(9)5-6-13-15(12)17(21)16(20)14-10(7-19)8-22-18(13)14/h2-6,8,19H,7H2,1H3 |
| InChIKey | CETREAVXUDHZGK-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1C)C=CC1=C2C(C(C2=C1OC=C2CO)=O)=O |