| SpectraBase Compound ID | 10siLynMXbT |
|---|---|
| InChI | InChI=1S/C21H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25)26-19-21(22,23)24/h2-19H2,1H3 |
| InChIKey | GFMNDVINBNNVLR-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H39F3O2 |
| Exact Mass | 380.290215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hJbxvLQf3p |
|---|---|
| Name | Nonadecanoic acid, 2,2,2- trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.290214983 u |
| Formula | C21H39F3O2 |
| InChI | InChI=1S/C21H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25)26-19-21(22,23)24/h2-19H2,1H3 |
| InChIKey | GFMNDVINBNNVLR-UHFFFAOYSA-N |
| Molecular Weight | 380.536 g/mol |
| SMILES | C(CCCCCCCCCCCCC(OCC(F)(F)F)=O)CCCCC |