| SpectraBase Compound ID | 58zcem2YEeB |
|---|---|
| InChI | InChI=1S/C13H24O5/c1-5-11(4)7-18-13(15)9-16-8-12(14)17-6-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey | AOOKHLSSTUMTGF-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 | J6XI2LhmLDv |
|---|---|
| Name | Diglycolic acid, isobutyl 2-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/c1-5-11(4)7-18-13(15)9-16-8-12(14)17-6-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey | AOOKHLSSTUMTGF-UHFFFAOYSA-N |
| Molecular Weight | 260.330 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OCC(C)CC |