| SpectraBase Compound ID | DPcgG7n5zys |
|---|---|
| InChI | InChI=1S/C14H7ClF4O2/c15-8-4-6-9(7-5-8)21-13(20)12-10(14(17,18)19)2-1-3-11(12)16/h1-7H |
| InChIKey | CUMFWRXGCYKRML-UHFFFAOYSA-N |
| Mol Weight | 318.65 g/mol |
| Molecular Formula | C14H7ClF4O2 |
| Exact Mass | 318.00707 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 | 5eWmiQlj3JI |
|---|---|
| Name | 2-Fluoro-6-trifluoromethylbenzoic acid, 4-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.007069815 u |
| Formula | C14H7ClF4O2 |
| InChI | InChI=1S/C14H7ClF4O2/c15-8-4-6-9(7-5-8)21-13(20)12-10(14(17,18)19)2-1-3-11(12)16/h1-7H |
| InChIKey | CUMFWRXGCYKRML-UHFFFAOYSA-N |
| Molecular Weight | 318.655 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(C1=C(C(F)(F)F)C=CC=C1F)=O)Cl |