| SpectraBase Compound ID | 9MwoVIhi07P |
|---|---|
| InChI | InChI=1S/C14H6Cl3F3O2/c15-9-5-11(17)12(6-10(9)16)22-13(21)7-3-1-2-4-8(7)14(18,19)20/h1-6H |
| InChIKey | PSZXVCHECAWMAA-UHFFFAOYSA-N |
| Mol Weight | 369.55 g/mol |
| Molecular Formula | C14H6Cl3F3O2 |
| Exact Mass | 367.938547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AT1wnydYpsm |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.938547020 u |
| Formula | C14H6Cl3F3O2 |
| InChI | InChI=1S/C14H6Cl3F3O2/c15-9-5-11(17)12(6-10(9)16)22-13(21)7-3-1-2-4-8(7)14(18,19)20/h1-6H |
| InChIKey | PSZXVCHECAWMAA-UHFFFAOYSA-N |
| Molecular Weight | 369.554 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC1=C(C=C(C(=C1)Cl)Cl)Cl)C(F)(F)F |