| SpectraBase Compound ID | 8lPp0iP4X6Z |
|---|---|
| InChI | InChI=1S/C14H26O5/c1-4-6-7-8-9-12(3)19-14(16)11-17-10-13(15)18-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | QNWOSDVEBQWMJY-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 | G0K8LW9Olaa |
|---|---|
| Name | Diglycolic acid, ethyl 2-octyl 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/c1-4-6-7-8-9-12(3)19-14(16)11-17-10-13(15)18-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | QNWOSDVEBQWMJY-UHFFFAOYSA-N |
| Molecular Weight | 274.357 g/mol |
| SMILES | C(COCC(=O)OCC)(=O)OC(C)CCCCCC |