| SpectraBase Compound ID | 7Jfj20Q93mp |
|---|---|
| InChI | InChI=1S/C14H5ClF6O2/c15-6-2-1-3-7(16)5(6)4-23-14(22)8-9(17)11(19)13(21)12(20)10(8)18/h1-3H,4H2 |
| InChIKey | CGTZWEFNBAFBIC-UHFFFAOYSA-N |
| Mol Weight | 354.64 g/mol |
| Molecular Formula | C14H5ClF6O2 |
| Exact Mass | 353.988226 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 | Giv8Dinxls2 |
|---|---|
| Name | 2-Chloro-6-fluorobenzyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.988226077 u |
| Formula | C14H5ClF6O2 |
| InChI | InChI=1S/C14H5ClF6O2/c15-6-2-1-3-7(16)5(6)4-23-14(22)8-9(17)11(19)13(21)12(20)10(8)18/h1-3H,4H2 |
| InChIKey | CGTZWEFNBAFBIC-UHFFFAOYSA-N |
| Molecular Weight | 354.635 g/mol |
| SMILES | C1(=CC=CC(=C1COC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)Cl)F |