| SpectraBase Compound ID | CDQEOfwDnas |
|---|---|
| InChI | InChI=1S/C15H28O5/c1-5-7-13(4)20-15(17)11-18-10-14(16)19-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | UAEMCDKMENKRDO-UHFFFAOYSA-N |
| Mol Weight | 288.38 g/mol |
| Molecular Formula | C15H28O5 |
| Exact Mass | 288.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64YrmSsD2Ge |
|---|---|
| Name | Diglycolic acid, isohexyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.193673997 u |
| Formula | C15H28O5 |
| InChI | InChI=1S/C15H28O5/c1-5-7-13(4)20-15(17)11-18-10-14(16)19-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3 |
| InChIKey | UAEMCDKMENKRDO-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OC(C)CCC |