| SpectraBase Compound ID | CtM8I7Csz26 |
|---|---|
| InChI | InChI=1S/C19H35Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-18(23)25-17-19(20,21)22/h2-17H2,1H3 |
| InChIKey | HQMWMRSVMXUSCU-UHFFFAOYSA-N |
| Mol Weight | 417.8 g/mol |
| Molecular Formula | C19H35Cl3O3 |
| Exact Mass | 416.165178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2d7lGnrFus1 |
|---|---|
| Name | Carbonic acid, hexadecyl 2,2,2-trichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.165178084 u |
| Formula | C19H35Cl3O3 |
| InChI | InChI=1S/C19H35Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-18(23)25-17-19(20,21)22/h2-17H2,1H3 |
| InChIKey | HQMWMRSVMXUSCU-UHFFFAOYSA-N |
| Molecular Weight | 417.845 g/mol |
| SMILES | C(OC(OCCCCCCCCCCCCCCCC)=O)C(Cl)(Cl)Cl |