| SpectraBase Compound ID | 2rSeyJuvsNN |
|---|---|
| InChI | InChI=1S/C19H36O5/c1-5-6-7-8-9-10-11-12-13-23-17(20)14-22-15-18(21)24-16-19(2,3)4/h5-16H2,1-4H3 |
| InChIKey | IIWJIVFHXQNTOU-UHFFFAOYSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C19H36O5 |
| Exact Mass | 344.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sBsBUMYlXR |
|---|---|
| Name | Diglycolic acid, decyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.256274254 u |
| Formula | C19H36O5 |
| InChI | InChI=1S/C19H36O5/c1-5-6-7-8-9-10-11-12-13-23-17(20)14-22-15-18(21)24-16-19(2,3)4/h5-16H2,1-4H3 |
| InChIKey | IIWJIVFHXQNTOU-UHFFFAOYSA-N |
| Molecular Weight | 344.492 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCCC)(=O)OCC(C)(C)C |