| SpectraBase Compound ID | HXKh9aDgoVP |
|---|---|
| InChI | InChI=1S/C18H33Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17(22)24-16-18(19,20)21/h2-16H2,1H3 |
| InChIKey | RQENOYGMJOSYGJ-UHFFFAOYSA-N |
| Mol Weight | 403.8 g/mol |
| Molecular Formula | C18H33Cl3O3 |
| Exact Mass | 402.149528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSzmlInnmb1 |
|---|---|
| Name | Carbonic acid, pentadecyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.149528020 u |
| Formula | C18H33Cl3O3 |
| InChI | InChI=1S/C18H33Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17(22)24-16-18(19,20)21/h2-16H2,1H3 |
| InChIKey | RQENOYGMJOSYGJ-UHFFFAOYSA-N |
| Molecular Weight | 403.818 g/mol |
| SMILES | CCCCCCCCCCCCCCCOC(OCC(Cl)(Cl)Cl)=O |