| SpectraBase Compound ID | 2uxNOhWLDlQ |
|---|---|
| InChI | InChI=1S/C13H22O4/c14-11-5-3-1-2-4-6-13(16)17-10-9-12(15)8-7-11/h12,15H,1-10H2 |
| InChIKey | YEMDEDIUCXYXJI-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DQMJbnpiHx |
|---|---|
| Name | Oxacyclotetradecane-2,9-dione, 12-hydroxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c14-11-5-3-1-2-4-6-13(16)17-10-9-12(15)8-7-11/h12,15H,1-10H2 |
| InChIKey | YEMDEDIUCXYXJI-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C1(OCCC(CCC(CCCCCC1)=O)O)=O |