| SpectraBase Compound ID | Dxyy4sB11IU |
|---|---|
| InChI | InChI=1S/C28H54O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-33-28(30)26-31-25-27(29)32-23-21-19-8-6-4-2/h3-26H2,1-2H3 |
| InChIKey | GEKNGZMWQZUPNW-UHFFFAOYSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C28H54O5 |
| Exact Mass | 470.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnKVUFbxzAQ |
|---|---|
| Name | Diglycolic acid, heptadecyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.397124834 u |
| Formula | C28H54O5 |
| InChI | InChI=1S/C28H54O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-33-28(30)26-31-25-27(29)32-23-21-19-8-6-4-2/h3-26H2,1-2H3 |
| InChIKey | GEKNGZMWQZUPNW-UHFFFAOYSA-N |
| Molecular Weight | 470.735 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCCCCCCCCC)(=O)OCCCCCCC |