| SpectraBase Compound ID | Ej2XARfIgDw |
|---|---|
| InChI | InChI=1S/C14H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-13(18)19-12-14(15,16)17/h2-12H2,1H3 |
| InChIKey | DZEDAIOKGLWUJP-UHFFFAOYSA-N |
| Mol Weight | 331.71 g/mol |
| Molecular Formula | C14H25Cl3O2 |
| Exact Mass | 330.092013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hg1uilzDWqD |
|---|---|
| Name | Dodecanoic acid, 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.092013143 u |
| Formula | C14H25Cl3O2 |
| InChI | InChI=1S/C14H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-13(18)19-12-14(15,16)17/h2-12H2,1H3 |
| InChIKey | DZEDAIOKGLWUJP-UHFFFAOYSA-N |
| Molecular Weight | 331.711 g/mol |
| SMILES | C(COC(CCCCCCCCCCC)=O)(Cl)(Cl)Cl |