| SpectraBase Compound ID | 6NyXcK0b2zI |
|---|---|
| InChI | InChI=1S/C14H5Cl4F3O2/c15-8-5-9(16)12(11(18)10(8)17)23-13(22)6-2-1-3-7(4-6)14(19,20)21/h1-5H |
| InChIKey | NTTDMPDJMIPWJH-UHFFFAOYSA-N |
| Mol Weight | 404.0 g/mol |
| Molecular Formula | C14H5Cl4F3O2 |
| Exact Mass | 401.899575 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FRMs83kbmke |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2,3,4,6-tetrachlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.899574688 u |
| Formula | C14H5Cl4F3O2 |
| InChI | InChI=1S/C14H5Cl4F3O2/c15-8-5-9(16)12(11(18)10(8)17)23-13(22)6-2-1-3-7(4-6)14(19,20)21/h1-5H |
| InChIKey | NTTDMPDJMIPWJH-UHFFFAOYSA-N |
| Molecular Weight | 403.999 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OC1=C(C(=C(C=C1Cl)Cl)Cl)Cl)C(F)(F)F |