| SpectraBase Compound ID | 4y3CJ60qYxP |
|---|---|
| InChI | InChI=1S/C13H23F3O2/c1-2-3-4-5-6-7-8-9-10-12(17)18-11-13(14,15)16/h2-11H2,1H3 |
| InChIKey | MWHMWUVGAHYNNK-UHFFFAOYSA-N |
| Mol Weight | 268.32 g/mol |
| Molecular Formula | C13H23F3O2 |
| Exact Mass | 268.165014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Us5khoGnPV |
|---|---|
| Name | Undecanoic acid, 2,2,2- trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.165014468 u |
| Formula | C13H23F3O2 |
| InChI | InChI=1S/C13H23F3O2/c1-2-3-4-5-6-7-8-9-10-12(17)18-11-13(14,15)16/h2-11H2,1H3 |
| InChIKey | MWHMWUVGAHYNNK-UHFFFAOYSA-N |
| Molecular Weight | 268.320 g/mol |
| SMILES | C(CCCCCCC(=O)OCC(F)(F)F)CCC |