| SpectraBase Compound ID | DoXwRHYJQc2 |
|---|---|
| InChI | InChI=1S/C16H29Cl3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)21-15(20)16(17,18)19/h14H,3-13H2,1-2H3 |
| InChIKey | NFJZHEIBRKSMDD-UHFFFAOYSA-N |
| Mol Weight | 359.77 g/mol |
| Molecular Formula | C16H29Cl3O2 |
| Exact Mass | 358.123313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CwwWG1JCCX |
|---|---|
| Name | Trichloroacetic acid, 2-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.123313272 u |
| Formula | C16H29Cl3O2 |
| InChI | InChI=1S/C16H29Cl3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)21-15(20)16(17,18)19/h14H,3-13H2,1-2H3 |
| InChIKey | NFJZHEIBRKSMDD-UHFFFAOYSA-N |
| Molecular Weight | 359.765 g/mol |
| SMILES | C(Cl)(Cl)(C(OC(C)CCCCCCCCCCCC)=O)Cl |