| SpectraBase Compound ID | I0u4PxTjYQB |
|---|---|
| InChI | InChI=1S/C14H9F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-13(19)9-1-5-11(18)6-2-9/h1-8,18H |
| InChIKey | JJRAQSRIZBVWBD-UHFFFAOYSA-N |
| Mol Weight | 282.22 g/mol |
| Molecular Formula | C14H9F3O3 |
| Exact Mass | 282.050379 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 | D9YqaLE1OTr |
|---|---|
| Name | p-Hydroxy-.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl ester of benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.050378636 u |
| Formula | C14H9F3O3 |
| InChI | InChI=1S/C14H9F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-13(19)9-1-5-11(18)6-2-9/h1-8,18H |
| InChIKey | JJRAQSRIZBVWBD-UHFFFAOYSA-N |
| Molecular Weight | 282.218 g/mol |
| SMILES | C(C1=CC=C(OC(C=2C=CC(=CC2)O)=O)C=C1)(F)(F)F |