| SpectraBase Compound ID | 5CutVINTnrS |
|---|---|
| InChI | InChI=1S/C15H28O5/c1-4-5-6-7-9-19-14(16)11-18-12-15(17)20-10-8-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey | KEQMWUROGDRQFC-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 | 5CRYlrC71Su |
|---|---|
| Name | Diglycolic acid, hexyl 3-methylbutyl 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/c1-4-5-6-7-9-19-14(16)11-18-12-15(17)20-10-8-13(2)3/h13H,4-12H2,1-3H3 |
| InChIKey | KEQMWUROGDRQFC-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OCCC(C)C |