| SpectraBase Compound ID | B70GbDdox8g |
|---|---|
| InChI | InChI=1S/C13H24O5/c1-10(2)5-6-17-12(14)8-16-9-13(15)18-7-11(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | GNTSGXZUKGTLLK-UHFFFAOYSA-N |
| Mol Weight | 260.33 g/mol |
| Molecular Formula | C13H24O5 |
| Exact Mass | 260.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JF7V74O22Lp |
|---|---|
| Name | Diglycolic acid, isobutyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.162373868 u |
| Formula | C13H24O5 |
| InChI | InChI=1S/C13H24O5/c1-10(2)5-6-17-12(14)8-16-9-13(15)18-7-11(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | GNTSGXZUKGTLLK-UHFFFAOYSA-N |
| Molecular Weight | 260.330 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OCCC(C)C |