| SpectraBase Compound ID | EwJnrO3qdny |
|---|---|
| InChI | InChI=1S/C9H6BrClF2O2/c10-9(12,13)8(14)15-5-6-1-3-7(11)4-2-6/h1-4H,5H2 |
| InChIKey | WNAAGKLQVVVPSH-UHFFFAOYSA-N |
| Mol Weight | 299.5 g/mol |
| Molecular Formula | C9H6BrClF2O2 |
| Exact Mass | 297.920776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | T1FvseIiCk |
|---|---|
| Name | (4-Chlorophenyl)methyl 2-bromanyl-2,2-bis(fluoranyl)ethanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.920776457 u |
| Formula | C9H6BrClF2O2 |
| InChI | InChI=1S/C9H6BrClF2O2/c10-9(12,13)8(14)15-5-6-1-3-7(11)4-2-6/h1-4H,5H2 |
| InChIKey | WNAAGKLQVVVPSH-UHFFFAOYSA-N |
| Molecular Weight | 299.499 g/mol |
| SMILES | C(C(F)(F)Br)(=O)OCC=1C=CC(=CC1)Cl |