| SpectraBase Compound ID | 8ltrGobZS96 |
|---|---|
| InChI | InChI=1S/C14H7Cl2F3O3/c15-8-1-6-12(11(16)7-8)21-9-2-4-10(5-3-9)22-13(20)14(17,18)19/h1-7H |
| InChIKey | CDLHZBGECLXLTJ-UHFFFAOYSA-N |
| Mol Weight | 351.11 g/mol |
| Molecular Formula | C14H7Cl2F3O3 |
| Exact Mass | 349.972434 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6spljlKj1m |
|---|---|
| Name | 4-(2,4-Dichlorophenoxy)phenol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.972433971 u |
| Formula | C14H7Cl2F3O3 |
| InChI | InChI=1S/C14H7Cl2F3O3/c15-8-1-6-12(11(16)7-8)21-9-2-4-10(5-3-9)22-13(20)14(17,18)19/h1-7H |
| InChIKey | CDLHZBGECLXLTJ-UHFFFAOYSA-N |
| Molecular Weight | 351.108 g/mol |
| SMILES | C1(Cl)=C(C=CC(=C1)Cl)OC1=CC=C(C=C1)OC(C(F)(F)F)=O |