| SpectraBase Compound ID | EAgpsNxVP6R |
|---|---|
| InChI | InChI=1S/C13H24O5/c1-5-6-11(4)18-13(15)9-16-8-12(14)17-7-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey | DTDIQGBHSLYSEM-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 | 2dGuFztTrA9 |
|---|---|
| Name | Diglycolic acid, isobutyl 2-pentyl 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/c1-5-6-11(4)18-13(15)9-16-8-12(14)17-7-10(2)3/h10-11H,5-9H2,1-4H3 |
| InChIKey | DTDIQGBHSLYSEM-UHFFFAOYSA-N |
| Molecular Weight | 260.330 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OC(C)CCC |