| SpectraBase Compound ID | L96du45YRMa |
|---|---|
| InChI | InChI=1S/C13H12BrF3O3/c1-2-20-12(19)10(13(15,16)17)7-11(18)8-3-5-9(14)6-4-8/h3-6,10H,2,7H2,1H3 |
| InChIKey | SOJCDZPVRUHSAP-UHFFFAOYSA-N |
| Mol Weight | 353.14 g/mol |
| Molecular Formula | C13H12BrF3O3 |
| Exact Mass | 351.992192 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qH9qdRL2Az |
|---|---|
| Name | Ethyl 4-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 351.992191732 u |
| Formula | C13H12BrF3O3 |
| InChI | InChI=1S/C13H12BrF3O3/c1-2-20-12(19)10(13(15,16)17)7-11(18)8-3-5-9(14)6-4-8/h3-6,10H,2,7H2,1H3 |
| InChIKey | SOJCDZPVRUHSAP-UHFFFAOYSA-N |
| Molecular Weight | 353.135 g/mol |
| SMILES | C=1C=C(C(CC(C(=O)OCC)C(F)(F)F)=O)C=CC1Br |