| SpectraBase Compound ID | GJuQaD4bapN |
|---|---|
| InChI | InChI=1S/C15H20O5/c1-11(2)8-19-14(16)9-18-10-15(17)20-13-6-4-5-12(3)7-13/h4-7,11H,8-10H2,1-3H3 |
| InChIKey | ZEFVMMQHPLRAIP-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C15H20O5 |
| Exact Mass | 280.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CfpfmjnFSkt |
|---|---|
| Name | Diglycolic acid, isobutyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.131073739 u |
| Formula | C15H20O5 |
| InChI | InChI=1S/C15H20O5/c1-11(2)8-19-14(16)9-18-10-15(17)20-13-6-4-5-12(3)7-13/h4-7,11H,8-10H2,1-3H3 |
| InChIKey | ZEFVMMQHPLRAIP-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OC1=CC(=CC=C1)C |