| SpectraBase Compound ID | DVZ5MceAqUF |
|---|---|
| InChI | InChI=1S/C18H34Cl2O2/c1-3-5-6-7-8-9-10-11-12-13-15-16(14-4-2)22-18(21)17(19)20/h16-17H,3-15H2,1-2H3 |
| InChIKey | IUOFKWRPPVWNAM-UHFFFAOYSA-N |
| Mol Weight | 353.4 g/mol |
| Molecular Formula | C18H34Cl2O2 |
| Exact Mass | 352.193586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJG5FQaIasv |
|---|---|
| Name | Dichloroacetic acid, 4-hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.193585733 u |
| Formula | C18H34Cl2O2 |
| InChI | InChI=1S/C18H34Cl2O2/c1-3-5-6-7-8-9-10-11-12-13-15-16(14-4-2)22-18(21)17(19)20/h16-17H,3-15H2,1-2H3 |
| InChIKey | IUOFKWRPPVWNAM-UHFFFAOYSA-N |
| Molecular Weight | 353.374 g/mol |
| SMILES | C(CCCCCCCC)CCCC(CCC)OC(C(Cl)Cl)=O |