| SpectraBase Compound ID | AoRN2houB0A |
|---|---|
| InChI | InChI=1S/C14H26O5/c1-4-6-7-8-18-13(15)10-17-11-14(16)19-9-12(3)5-2/h12H,4-11H2,1-3H3 |
| InChIKey | BAYQKUUFYQZYQS-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 | Dyw7zo6nQ0L |
|---|---|
| Name | Diglycolic acid, 2-methylbutyl pentyl 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/c1-4-6-7-8-18-13(15)10-17-11-14(16)19-9-12(3)5-2/h12H,4-11H2,1-3H3 |
| InChIKey | BAYQKUUFYQZYQS-UHFFFAOYSA-N |
| Molecular Weight | 274.357 g/mol |
| SMILES | C(COCC(=O)OCCCCC)(=O)OCC(C)CC |