| SpectraBase Compound ID | 6SwF8vumDdA |
|---|---|
| InChI | InChI=1S/C15H27Cl3O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)20-14(19)15(16,17)18/h13H,3-12H2,1-2H3 |
| InChIKey | HGNDVVVFAHXBFA-UHFFFAOYSA-N |
| Mol Weight | 345.74 g/mol |
| Molecular Formula | C15H27Cl3O2 |
| Exact Mass | 344.107663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XSaXYQtRPo |
|---|---|
| Name | Trichloroacetic acid, 4-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.107663207 u |
| Formula | C15H27Cl3O2 |
| InChI | InChI=1S/C15H27Cl3O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)20-14(19)15(16,17)18/h13H,3-12H2,1-2H3 |
| InChIKey | HGNDVVVFAHXBFA-UHFFFAOYSA-N |
| Molecular Weight | 345.738 g/mol |
| SMILES | C(Cl)(Cl)(Cl)C(OC(CCC)CCCCCCCCC)=O |