| SpectraBase Compound ID | LWD123qq1cu |
|---|---|
| InChI | InChI=1S/C22H33F3O2/c1-3-5-6-7-8-9-10-11-13-20(12-4-2)27-21(26)18-14-16-19(17-15-18)22(23,24)25/h14-17,20H,3-13H2,1-2H3 |
| InChIKey | QSABBCUVQJOBIN-UHFFFAOYSA-N |
| Mol Weight | 386.5 g/mol |
| Molecular Formula | C22H33F3O2 |
| Exact Mass | 386.243265 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 | Ly48hFTqMz2 |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 4-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.243264790 u |
| Formula | C22H33F3O2 |
| InChI | InChI=1S/C22H33F3O2/c1-3-5-6-7-8-9-10-11-13-20(12-4-2)27-21(26)18-14-16-19(17-15-18)22(23,24)25/h14-17,20H,3-13H2,1-2H3 |
| InChIKey | QSABBCUVQJOBIN-UHFFFAOYSA-N |
| Molecular Weight | 386.499 g/mol |
| SMILES | CCCC(OC(=O)C1=CC=C(C(F)(F)F)C=C1)CCCCCCCCCC |