| SpectraBase Compound ID | 2zBQhBm2Hfx |
|---|---|
| InChI | InChI=1S/C20H14O5/c1-10-4-3-5-14-13(10)6-7-15-17(14)19(23)18(22)16-12(8-24-11(2)21)9-25-20(15)16/h3-7,9H,8H2,1-2H3 |
| InChIKey | QCYITDZCAPBLFF-UHFFFAOYSA-N |
| Mol Weight | 334.33 g/mol |
| Molecular Formula | C20H14O5 |
| Exact Mass | 334.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | g9N9omkqYY |
|---|---|
| Name | o-Acetylprzewaquinone B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.084123546 u |
| Formula | C20H14O5 |
| InChI | InChI=1S/C20H14O5/c1-10-4-3-5-14-13(10)6-7-15-17(14)19(23)18(22)16-12(8-24-11(2)21)9-25-20(15)16/h3-7,9H,8H2,1-2H3 |
| InChIKey | QCYITDZCAPBLFF-UHFFFAOYSA-N |
| Molecular Weight | 334.327 g/mol |
| SMILES | C12=C(C=CC=C2C2=C(C=C1)C1=C(C(=CO1)COC(C)=O)C(C2=O)=O)C |