| SpectraBase Compound ID | 1txgIUGO6oM |
|---|---|
| InChI | InChI=1S/C19H26Cl2O5/c1-2-3-4-5-6-7-8-12-25-17(22)13-24-14-18(23)26-19-15(20)10-9-11-16(19)21/h9-11H,2-8,12-14H2,1H3 |
| InChIKey | UDFTVFWARDPCOY-UHFFFAOYSA-N |
| Mol Weight | 405.32 g/mol |
| Molecular Formula | C19H26Cl2O5 |
| Exact Mass | 404.115729 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42jb58lKIkN |
|---|---|
| Name | Diglycolic acid, 2,6-dichlorophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.115729332 u |
| Formula | C19H26Cl2O5 |
| InChI | InChI=1S/C19H26Cl2O5/c1-2-3-4-5-6-7-8-12-25-17(22)13-24-14-18(23)26-19-15(20)10-9-11-16(19)21/h9-11H,2-8,12-14H2,1H3 |
| InChIKey | UDFTVFWARDPCOY-UHFFFAOYSA-N |
| Molecular Weight | 405.318 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OC1=C(C=CC=C1Cl)Cl |