| SpectraBase Compound ID | 8FZ72GCMxt6 |
|---|---|
| InChI | InChI=1S/C14H6Cl3F3O2/c15-8-5-10(16)12(11(17)6-8)7-2-1-3-9(4-7)22-13(21)14(18,19)20/h1-6H |
| InChIKey | NTUGHONWQRUNDT-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 | DaAyC817pGa |
|---|---|
| Name | 3-Hydroxy-2',4',6'-trichlorobiphenyl, trifluoroacetate |
| 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/c15-8-5-10(16)12(11(17)6-8)7-2-1-3-9(4-7)22-13(21)14(18,19)20/h1-6H |
| InChIKey | NTUGHONWQRUNDT-UHFFFAOYSA-N |
| Molecular Weight | 369.554 g/mol |
| SMILES | C1(C2=C(C=C(C=C2Cl)Cl)Cl)=CC(=CC=C1)OC(C(F)(F)F)=O |