| SpectraBase Compound ID | 4cpORp5YvZa |
|---|---|
| InChI | InChI=1S/C9H6BrF3O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | ANOPWAXGWOMPNH-UHFFFAOYSA-N |
| Mol Weight | 283.04 g/mol |
| Molecular Formula | C9H6BrF3O2 |
| Exact Mass | 281.950327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cCCR2xudz1 |
|---|---|
| Name | 4-Bromobenzyl 2,2,2-trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.950326920 u |
| Formula | C9H6BrF3O2 |
| InChI | InChI=1S/C9H6BrF3O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | ANOPWAXGWOMPNH-UHFFFAOYSA-N |
| Molecular Weight | 283.044 g/mol |
| SMILES | C(C(F)(F)F)(=O)OCC1=CC=C(C=C1)Br |