| SpectraBase Compound ID | CvldZ5V2olQ |
|---|---|
| InChI | InChI=1S/C22H16O6/c1-11-8-13-15(23)10-17(27-3)21(25)19(13)14(9-11)20-16(26-2)6-4-12-5-7-18(24)28-22(12)20/h4-10H,1-3H3 |
| InChIKey | GPGGGLOHXPWGDO-UHFFFAOYSA-N |
| Mol Weight | 376.36 g/mol |
| Molecular Formula | C22H16O6 |
| Exact Mass | 376.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EOUGAavtbC |
|---|---|
| Name | Pummeloquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.094688229 u |
| Formula | C22H16O6 |
| InChI | InChI=1S/C22H16O6/c1-11-8-13-15(23)10-17(27-3)21(25)19(13)14(9-11)20-16(26-2)6-4-12-5-7-18(24)28-22(12)20/h4-10H,1-3H3 |
| InChIKey | GPGGGLOHXPWGDO-UHFFFAOYSA-N |
| Molecular Weight | 376.364 g/mol |
| SMILES | C=12C(C3=C4OC(=O)C=CC4=CC=C3OC)=CC(=CC1C(=O)C=C(C2=O)OC)C |