| SpectraBase Compound ID | 8DrfEUVxecR |
|---|---|
| InChI | InChI=1S/C20H38O5/c1-3-5-7-9-10-12-14-16-25-20(22)18-23-17-19(21)24-15-13-11-8-6-4-2/h3-18H2,1-2H3 |
| InChIKey | ANGCIFVLAQAUMW-UHFFFAOYSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C20H38O5 |
| Exact Mass | 358.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25ZENvCeq4c |
|---|---|
| Name | Diglycolic acid, heptyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.271924319 u |
| Formula | C20H38O5 |
| InChI | InChI=1S/C20H38O5/c1-3-5-7-9-10-12-14-16-25-20(22)18-23-17-19(21)24-15-13-11-8-6-4-2/h3-18H2,1-2H3 |
| InChIKey | ANGCIFVLAQAUMW-UHFFFAOYSA-N |
| Molecular Weight | 358.519 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OCCCCCCC |