| SpectraBase Compound ID | BrSrBky0kfc |
|---|---|
| InChI | InChI=1S/C13H5Cl3F2O2/c14-6-4-7(15)12(8(16)5-6)20-13(19)11-9(17)2-1-3-10(11)18/h1-5H |
| InChIKey | WTHGFUPHTCZKSC-UHFFFAOYSA-N |
| Mol Weight | 337.54 g/mol |
| Molecular Formula | C13H5Cl3F2O2 |
| Exact Mass | 335.932319 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 | FGxfdQLNbsc |
|---|---|
| Name | 2,6-Difluorobenzoic acid, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.932318825 u |
| Formula | C13H5Cl3F2O2 |
| InChI | InChI=1S/C13H5Cl3F2O2/c14-6-4-7(15)12(8(16)5-6)20-13(19)11-9(17)2-1-3-10(11)18/h1-5H |
| InChIKey | WTHGFUPHTCZKSC-UHFFFAOYSA-N |
| Molecular Weight | 337.537 g/mol |
| SMILES | C1(=C(C=CC=C1F)F)C(=O)OC1=C(C=C(C=C1Cl)Cl)Cl |