| SpectraBase Compound ID | 5wNu05NyYlD |
|---|---|
| InChI | InChI=1S/C12H20O9/c13-11-18-7-5-16-3-1-15-2-4-17-6-8-19-12(14)21-10-9-20-11/h1-10H2 |
| InChIKey | MECQWNDHJVYZKT-UHFFFAOYSA-N |
| Mol Weight | 308.28 g/mol |
| Molecular Formula | C12H20O9 |
| Exact Mass | 308.110732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzGQEdKkzMY |
|---|---|
| Name | 1,3,6,8,11,14,17-Heptaoxacyclononadecane-2,7-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.110732215 u |
| Formula | C12H20O9 |
| InChI | InChI=1S/C12H20O9/c13-11-18-7-5-16-3-1-15-2-4-17-6-8-19-12(14)21-10-9-20-11/h1-10H2 |
| InChIKey | MECQWNDHJVYZKT-UHFFFAOYSA-N |
| Molecular Weight | 308.283 g/mol |
| SMILES | C1(OCCOCCOCCOCCOC(OCCO1)=O)=O |