| SpectraBase Compound ID | LMSYQ9EeANf |
|---|---|
| InChI | InChI=1S/C14H7F5O2/c15-8-3-1-4-9(7-8)21-13(20)10-5-2-6-11(12(10)16)14(17,18)19/h1-7H |
| InChIKey | DYMCOLRMCZGNSC-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C14H7F5O2 |
| Exact Mass | 302.03662 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 | 52kOBFacsmp |
|---|---|
| Name | 2-Fluoro-3-trifluoromethylbenzoic acid, 3-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.036620278 u |
| Formula | C14H7F5O2 |
| InChI | InChI=1S/C14H7F5O2/c15-8-3-1-4-9(7-8)21-13(20)10-5-2-6-11(12(10)16)14(17,18)19/h1-7H |
| InChIKey | DYMCOLRMCZGNSC-UHFFFAOYSA-N |
| Molecular Weight | 302.200 g/mol |
| SMILES | C(C1=C(C(=CC=C1)C(F)(F)F)F)(OC1=CC=CC(=C1)F)=O |