| SpectraBase Compound ID | 1XGgiWEm6jC |
|---|---|
| InChI | InChI=1S/C14H5Cl4F3O2/c15-7-5-8(16)12(18)10(11(7)17)6-3-1-2-4-9(6)23-13(22)14(19,20)21/h1-5H |
| InChIKey | LNGVFSCWYWUAGQ-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 | GJ8cX9uUS3C |
|---|---|
| Name | 2-Hydroxy-2',3',5',6'-tetrachlorobiphenyl, trifluoroacetate |
| 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/c15-7-5-8(16)12(18)10(11(7)17)6-3-1-2-4-9(6)23-13(22)14(19,20)21/h1-5H |
| InChIKey | LNGVFSCWYWUAGQ-UHFFFAOYSA-N |
| Molecular Weight | 403.999 g/mol |
| SMILES | C1(C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)=C(C=CC=C1)OC(C(F)(F)F)=O |