| SpectraBase Compound ID | 9431IRm95rZ |
|---|---|
| InChI | InChI=1S/C14H7Cl2F3O2/c15-10-2-1-3-11(12(10)16)21-13(20)8-4-6-9(7-5-8)14(17,18)19/h1-7H |
| InChIKey | HLQWUAWXXUBMFT-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 | GQgcpYRbtZk |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 2,3-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/c15-10-2-1-3-11(12(10)16)21-13(20)8-4-6-9(7-5-8)14(17,18)19/h1-7H |
| InChIKey | HLQWUAWXXUBMFT-UHFFFAOYSA-N |
| Molecular Weight | 335.109 g/mol |
| SMILES | C1(=C(C=CC=C1OC(=O)C1=CC=C(C(F)(F)F)C=C1)Cl)Cl |