| SpectraBase Compound ID | hrLVfpVq43 |
|---|---|
| InChI | InChI=1S/C17H31Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-16(21)17(18,19)20/h2-15H2,1H3 |
| InChIKey | NKIOTTYRINVYJZ-UHFFFAOYSA-N |
| Mol Weight | 373.79 g/mol |
| Molecular Formula | C17H31Cl3O2 |
| Exact Mass | 372.138963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dl2aAgaPUW1 |
|---|---|
| Name | Trichloroacetic acid, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.138963336 u |
| Formula | C17H31Cl3O2 |
| InChI | InChI=1S/C17H31Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-16(21)17(18,19)20/h2-15H2,1H3 |
| InChIKey | NKIOTTYRINVYJZ-UHFFFAOYSA-N |
| Molecular Weight | 373.792 g/mol |
| SMILES | C(Cl)(Cl)(Cl)C(=O)OCCCCCCCCCCCCCCC |