| SpectraBase Compound ID | 7ZJ0wQ5EmbQ |
|---|---|
| InChI | InChI=1S/C14H26O5/c1-11(2)6-5-7-18-13(15)9-17-10-14(16)19-8-12(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | YOKKQZQEJUFTJM-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 | JvHZwYBPRZc |
|---|---|
| Name | Diglycolic acid, isobutyl isohexyl 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/c1-11(2)6-5-7-18-13(15)9-17-10-14(16)19-8-12(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | YOKKQZQEJUFTJM-UHFFFAOYSA-N |
| Molecular Weight | 274.357 g/mol |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OCC(C)C |