| SpectraBase Compound ID | Fs0ItdTWkCQ |
|---|---|
| InChI | InChI=1S/C14H6ClF5O2/c15-7-3-1-6(2-4-7)5-22-14(21)8-9(16)11(18)13(20)12(19)10(8)17/h1-4H,5H2 |
| InChIKey | BGYCNKAWOZPASI-UHFFFAOYSA-N |
| Mol Weight | 336.65 g/mol |
| Molecular Formula | C14H6ClF5O2 |
| Exact Mass | 335.997648 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 | JO8uAQHQYaq |
|---|---|
| Name | Pentafluorobenzoic acid, 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.997647946 u |
| Formula | C14H6ClF5O2 |
| InChI | InChI=1S/C14H6ClF5O2/c15-7-3-1-6(2-4-7)5-22-14(21)8-9(16)11(18)13(20)12(19)10(8)17/h1-4H,5H2 |
| InChIKey | BGYCNKAWOZPASI-UHFFFAOYSA-N |
| Molecular Weight | 336.645 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)COC(=O)C1=C(F)C(=C(C(=C1F)F)F)F |