| SpectraBase Compound ID | KR9gk2KCzs6 |
|---|---|
| InChI | InChI=1S/C14H4Cl3F5O2/c15-4-1-6(16)5(7(17)2-4)3-24-14(23)8-9(18)11(20)13(22)12(21)10(8)19/h1-2H,3H2 |
| InChIKey | CGXJFPUAVVLBEB-UHFFFAOYSA-N |
| Mol Weight | 405.54 g/mol |
| Molecular Formula | C14H4Cl3F5O2 |
| Exact Mass | 403.919703 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SgZQxka92y |
|---|---|
| Name | 2,4,6-Trichlorobenzyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.919703282 u |
| Formula | C14H4Cl3F5O2 |
| InChI | InChI=1S/C14H4Cl3F5O2/c15-4-1-6(16)5(7(17)2-4)3-24-14(23)8-9(18)11(20)13(22)12(21)10(8)19/h1-2H,3H2 |
| InChIKey | CGXJFPUAVVLBEB-UHFFFAOYSA-N |
| Molecular Weight | 405.535 g/mol |
| SMILES | C1(=CC(=CC(=C1COC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)Cl)Cl)Cl |