| SpectraBase Compound ID | 5yjyph1K8MF |
|---|---|
| InChI | InChI=1S/C17H15F3O3/c1-11(2)22-14-8-3-4-9-15(14)23-16(21)12-6-5-7-13(10-12)17(18,19)20/h3-11H,1-2H3 |
| InChIKey | CYSZZKZKHCEUOS-UHFFFAOYSA-N |
| Mol Weight | 324.3 g/mol |
| Molecular Formula | C17H15F3O3 |
| Exact Mass | 324.097329 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 | Kox6ztjf2wd |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2-isopropoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.097328829 u |
| Formula | C17H15F3O3 |
| InChI | InChI=1S/C17H15F3O3/c1-11(2)22-14-8-3-4-9-15(14)23-16(21)12-6-5-7-13(10-12)17(18,19)20/h3-11H,1-2H3 |
| InChIKey | CYSZZKZKHCEUOS-UHFFFAOYSA-N |
| Molecular Weight | 324.299 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC=1C(OC(C)C)=CC=CC1)=O)C(F)(F)F |