| SpectraBase Compound ID | JaMqZVjvPy6 |
|---|---|
| InChI | InChI=1S/C12H20O7/c13-11-1-2-12(14)19-10-8-17-6-4-15-3-5-16-7-9-18-11/h1-10H2 |
| InChIKey | MCNFMIXLPJCWAX-UHFFFAOYSA-N |
| Mol Weight | 276.28 g/mol |
| Molecular Formula | C12H20O7 |
| Exact Mass | 276.120903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3KPA5qz2Upu |
|---|---|
| Name | 1,4,7,10,13-Pentaoxacycloheptadecane-14,17-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.120902977 u |
| Formula | C12H20O7 |
| InChI | InChI=1S/C12H20O7/c13-11-1-2-12(14)19-10-8-17-6-4-15-3-5-16-7-9-18-11/h1-10H2 |
| InChIKey | MCNFMIXLPJCWAX-UHFFFAOYSA-N |
| Molecular Weight | 276.285 g/mol |
| SMILES | C1(OCCOCCOCCOCCOC(CC1)=O)=O |