| SpectraBase Compound ID | E4Q1aUrK1Rn |
|---|---|
| InChI | InChI=1S/C17H31F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21)22-15-17(18,19)20/h2-15H2,1H3 |
| InChIKey | DUIXDULMJXPKCI-UHFFFAOYSA-N |
| Mol Weight | 324.43 g/mol |
| Molecular Formula | C17H31F3O2 |
| Exact Mass | 324.227615 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wpGG1bQByT |
|---|---|
| Name | Pentadecanoic acid, 2,2,2- trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.227614725 u |
| Formula | C17H31F3O2 |
| InChI | InChI=1S/C17H31F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21)22-15-17(18,19)20/h2-15H2,1H3 |
| InChIKey | DUIXDULMJXPKCI-UHFFFAOYSA-N |
| Molecular Weight | 324.428 g/mol |
| SMILES | C(CCCCCCC(=O)OCC(F)(F)F)CCCCCCC |