| SpectraBase Compound ID | BeeZSU3WtHk |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-14(2)11-22-17(19)13-20-12-16(18)21-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3 |
| InChIKey | OAZLVVHNOHXPBE-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkHklf5eoIQ |
|---|---|
| Name | Diglycolic acid, isobutyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-14(2)11-22-17(19)13-20-12-16(18)21-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3 |
| InChIKey | OAZLVVHNOHXPBE-UHFFFAOYSA-N |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OCCCC1=CC=CC=C1 |