| SpectraBase Compound ID | 8GsGX3yXZrI |
|---|---|
| InChI | InChI=1S/C17H14O7/c1-22-9-5-10(17(21)23-2)14-13(6-9)24-12-4-8(7-18)3-11(19)15(12)16(14)20/h3-6,18-19H,7H2,1-2H3 |
| InChIKey | IJUFSGBZRCCKSS-UHFFFAOYSA-N |
| Mol Weight | 330.29 g/mol |
| Molecular Formula | C17H14O7 |
| Exact Mass | 330.073953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | K66k3H0TDM1 |
|---|---|
| Name | Pestaloxanthone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.073952784 u |
| Formula | C17H14O7 |
| InChI | InChI=1S/C17H14O7/c1-22-9-5-10(17(21)23-2)14-13(6-9)24-12-4-8(7-18)3-11(19)15(12)16(14)20/h3-6,18-19H,7H2,1-2H3 |
| InChIKey | IJUFSGBZRCCKSS-UHFFFAOYSA-N |
| Molecular Weight | 330.292 g/mol |
| SMILES | C1(C2=C(C(=O)OC)C=C(OC)C=C2OC2=C1C(=CC(=C2)CO)O)=O |