| SpectraBase Compound ID | K73hlSpiG3F |
|---|---|
| InChI | InChI=1S/C19H27F3O2/c1-2-3-4-5-6-7-8-9-10-14-24-18(23)16-12-11-13-17(15-16)19(20,21)22/h11-13,15H,2-10,14H2,1H3 |
| InChIKey | ZIEPGJYUVDPOML-UHFFFAOYSA-N |
| Mol Weight | 344.42 g/mol |
| Molecular Formula | C19H27F3O2 |
| Exact Mass | 344.196315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJEyTnesGdL |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.196314596 u |
| Formula | C19H27F3O2 |
| InChI | InChI=1S/C19H27F3O2/c1-2-3-4-5-6-7-8-9-10-14-24-18(23)16-12-11-13-17(15-16)19(20,21)22/h11-13,15H,2-10,14H2,1H3 |
| InChIKey | ZIEPGJYUVDPOML-UHFFFAOYSA-N |
| Molecular Weight | 344.418 g/mol |
| SMILES | C(CCCCCCCCCC)OC(=O)C1=CC(C(F)(F)F)=CC=C1 |