| SpectraBase Compound ID | D6VHauNCFAq |
|---|---|
| InChI | InChI=1S/C14H16Cl2O5/c1-9(2)6-20-12(17)7-19-8-13(18)21-14-10(15)4-3-5-11(14)16/h3-5,9H,6-8H2,1-2H3 |
| InChIKey | NYIZQQIMJPZHTB-UHFFFAOYSA-N |
| Mol Weight | 335.18 g/mol |
| Molecular Formula | C14H16Cl2O5 |
| Exact Mass | 334.037479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Jhn4DZMDjs |
|---|---|
| Name | Diglycolic acid, 2,6-dichlorophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.037479010 u |
| Formula | C14H16Cl2O5 |
| InChI | InChI=1S/C14H16Cl2O5/c1-9(2)6-20-12(17)7-19-8-13(18)21-14-10(15)4-3-5-11(14)16/h3-5,9H,6-8H2,1-2H3 |
| InChIKey | NYIZQQIMJPZHTB-UHFFFAOYSA-N |
| Molecular Weight | 335.183 g/mol |
| SMILES | C(COCC(=O)OCC(C)C)(=O)OC1=C(C=CC=C1Cl)Cl |