| SpectraBase Compound ID | 34uG7O6iRwh |
|---|---|
| InChI | InChI=1S/C14H26O5/c1-3-5-7-8-10-19-14(16)12-17-11-13(15)18-9-6-4-2/h3-12H2,1-2H3 |
| InChIKey | XSDYSVQGKHJTQP-UHFFFAOYSA-N |
| Mol Weight | 274.36 g/mol |
| Molecular Formula | C14H26O5 |
| Exact Mass | 274.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARHc3ftgDfl |
|---|---|
| Name | Diglycolic acid, butyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.178023932 u |
| Formula | C14H26O5 |
| InChI | InChI=1S/C14H26O5/c1-3-5-7-8-10-19-14(16)12-17-11-13(15)18-9-6-4-2/h3-12H2,1-2H3 |
| InChIKey | XSDYSVQGKHJTQP-UHFFFAOYSA-N |
| Molecular Weight | 274.357 g/mol |
| SMILES | C(COCC(=O)OCCCC)(=O)OCCCCCC |