| SpectraBase Compound ID | 1pTn41jDszB |
|---|---|
| InChI | InChI=1S/C19H33Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-25-17(23)13-12-14-18(24)26-16-19(20,21)22/h2-16H2,1H3 |
| InChIKey | OQAVDQVRXJQCBU-UHFFFAOYSA-N |
| Mol Weight | 431.8 g/mol |
| Molecular Formula | C19H33Cl3O4 |
| Exact Mass | 430.144443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K887283B9ih |
|---|---|
| Name | Glutaric acid, dodecyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.144442639 u |
| Formula | C19H33Cl3O4 |
| InChI | InChI=1S/C19H33Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-25-17(23)13-12-14-18(24)26-16-19(20,21)22/h2-16H2,1H3 |
| InChIKey | OQAVDQVRXJQCBU-UHFFFAOYSA-N |
| Molecular Weight | 431.828 g/mol |
| SMILES | CCCCCCCCCCCCOC(CCCC(OCC(Cl)(Cl)Cl)=O)=O |