| SpectraBase Compound ID | LCJeYpOmP9Q |
|---|---|
| InChI | InChI=1S/C18H15F3O5/c1-2-24-16(22)14-5-3-4-6-15(14)17(23)25-11-12-7-9-13(10-8-12)26-18(19,20)21/h3-10H,2,11H2,1H3 |
| InChIKey | WYQKTJVVCRFMLO-UHFFFAOYSA-N |
| Mol Weight | 368.31 g/mol |
| Molecular Formula | C18H15F3O5 |
| Exact Mass | 368.087158 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 | HPaxSDXiEQ1 |
|---|---|
| Name | Phthalic acid, ethyl 4-trifluoromethoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.087158067 u |
| Formula | C18H15F3O5 |
| InChI | InChI=1S/C18H15F3O5/c1-2-24-16(22)14-5-3-4-6-15(14)17(23)25-11-12-7-9-13(10-8-12)26-18(19,20)21/h3-10H,2,11H2,1H3 |
| InChIKey | WYQKTJVVCRFMLO-UHFFFAOYSA-N |
| Molecular Weight | 368.308 g/mol |
| SMILES | C1(=CC=CC=C1C(OCC1=CC=C(OC(F)(F)F)C=C1)=O)C(OCC)=O |