| SpectraBase Compound ID | GZBvDmQ378U |
|---|---|
| InChI | InChI=1S/C14H7Cl2F3O2/c15-10-5-6-11(16)12(7-10)21-13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7H |
| InChIKey | PSTGHTWYUMEELN-UHFFFAOYSA-N |
| Mol Weight | 335.11 g/mol |
| Molecular Formula | C14H7Cl2F3O2 |
| Exact Mass | 333.977519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5CtpeFbYeE |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 2,5-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.977519352 u |
| Formula | C14H7Cl2F3O2 |
| InChI | InChI=1S/C14H7Cl2F3O2/c15-10-5-6-11(16)12(7-10)21-13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7H |
| InChIKey | PSTGHTWYUMEELN-UHFFFAOYSA-N |
| Molecular Weight | 335.109 g/mol |
| SMILES | C1(=CC=C(C=C1)C(F)(F)F)C(OC1=C(C=CC(=C1)Cl)Cl)=O |