| SpectraBase Compound ID | JW8UyH3r1Xg |
|---|---|
| InChI | InChI=1S/C19H27F3O2/c1-2-3-4-5-6-7-8-9-12-15-24-18(23)16-13-10-11-14-17(16)19(20,21)22/h10-11,13-14H,2-9,12,15H2,1H3 |
| InChIKey | DDUCHYCCHSTQKK-UHFFFAOYSA-N |
| Mol Weight | 344.42 g/mol |
| Molecular Formula | C19H27F3O2 |
| Exact Mass | 344.196315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AVDwNsu3BQ6 |
|---|---|
| Name | 2-(Trifluoromethyl)benzoic 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/c1-2-3-4-5-6-7-8-9-12-15-24-18(23)16-13-10-11-14-17(16)19(20,21)22/h10-11,13-14H,2-9,12,15H2,1H3 |
| InChIKey | DDUCHYCCHSTQKK-UHFFFAOYSA-N |
| Molecular Weight | 344.418 g/mol |
| SMILES | C(CCCCCCCCCC)OC(=O)C1=CC=CC=C1C(F)(F)F |