| SpectraBase Compound ID | CAq5xYJ36SU |
|---|---|
| InChI | InChI=1S/C20H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-26-18(24)14-13-15-19(25)27-17-20(21,22)23/h2-17H2,1H3 |
| InChIKey | BJABNHICROKXFS-UHFFFAOYSA-N |
| Mol Weight | 445.9 g/mol |
| Molecular Formula | C20H35Cl3O4 |
| Exact Mass | 444.160093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XnemVu7CTn |
|---|---|
| Name | Glutaric acid, 2,2,2-trichloroethyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.160092703 u |
| Formula | C20H35Cl3O4 |
| InChI | InChI=1S/C20H35Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-26-18(24)14-13-15-19(25)27-17-20(21,22)23/h2-17H2,1H3 |
| InChIKey | BJABNHICROKXFS-UHFFFAOYSA-N |
| Molecular Weight | 445.855 g/mol |
| SMILES | CCCCCCCCCCCCCOC(CCCC(OCC(Cl)(Cl)Cl)=O)=O |