| SpectraBase Compound ID | BOVSbxk20ZG |
|---|---|
| InChI | InChI=1S/C14H7BrF4O2/c15-11-7-10(16)4-5-12(11)21-13(20)8-2-1-3-9(6-8)14(17,18)19/h1-7H |
| InChIKey | ORSKOPILQLSQCZ-UHFFFAOYSA-N |
| Mol Weight | 363.11 g/mol |
| Molecular Formula | C14H7BrF4O2 |
| Exact Mass | 361.956555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | WsK2dWhmgI |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 2-bromo-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.956555115 u |
| Formula | C14H7BrF4O2 |
| InChI | InChI=1S/C14H7BrF4O2/c15-11-7-10(16)4-5-12(11)21-13(20)8-2-1-3-9(6-8)14(17,18)19/h1-7H |
| InChIKey | ORSKOPILQLSQCZ-UHFFFAOYSA-N |
| Molecular Weight | 363.106 g/mol |
| SMILES | C1=C(C=C(C=C1)C(OC1=CC=C(C=C1Br)F)=O)C(F)(F)F |