| SpectraBase Compound ID | 12Q5CsFD3Yl |
|---|---|
| InChI | InChI=1S/C21H39Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-20(25)27-19-21(22,23)24/h2-19H2,1H3 |
| InChIKey | XEAPYYUMYBEJQV-UHFFFAOYSA-N |
| Mol Weight | 445.9 g/mol |
| Molecular Formula | C21H39Cl3O3 |
| Exact Mass | 444.196478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4IY53OdLeOy |
|---|---|
| Name | Carbonic acid, octadecyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.196478213 u |
| Formula | C21H39Cl3O3 |
| InChI | InChI=1S/C21H39Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-20(25)27-19-21(22,23)24/h2-19H2,1H3 |
| InChIKey | XEAPYYUMYBEJQV-UHFFFAOYSA-N |
| Molecular Weight | 445.899 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCOC(OCC(Cl)(Cl)Cl)=O |