| SpectraBase Compound ID | JF5jotQz7k6 |
|---|---|
| InChI | InChI=1S/C16H20Cl2O5/c1-2-3-4-5-9-22-14(19)10-21-11-15(20)23-16-12(17)7-6-8-13(16)18/h6-8H,2-5,9-11H2,1H3 |
| InChIKey | VTSUYHZBSBBPGK-UHFFFAOYSA-N |
| Mol Weight | 363.24 g/mol |
| Molecular Formula | C16H20Cl2O5 |
| Exact Mass | 362.068779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xKpx5MEQNa |
|---|---|
| Name | Diglycolic acid, 2,6-dichlorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.068779139 u |
| Formula | C16H20Cl2O5 |
| InChI | InChI=1S/C16H20Cl2O5/c1-2-3-4-5-9-22-14(19)10-21-11-15(20)23-16-12(17)7-6-8-13(16)18/h6-8H,2-5,9-11H2,1H3 |
| InChIKey | VTSUYHZBSBBPGK-UHFFFAOYSA-N |
| Molecular Weight | 363.237 g/mol |
| SMILES | C(COCC(=O)OCCCCCC)(=O)OC1=C(C=CC=C1Cl)Cl |