| SpectraBase Compound ID | 884fSmbx4jq |
|---|---|
| InChI | InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H |
| InChIKey | IHGSAQHSAGRWNI-UHFFFAOYSA-N |
| Mol Weight | 253.02 g/mol |
| Molecular Formula | C8H4BrF3O |
| Exact Mass | 251.939762 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GeSIEx7EpOr |
|---|---|
| Name | 4'-Bromo-2,2,2-trifluoroacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.939762237 u |
| Formula | C8H4BrF3O |
| InChI | InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H |
| InChIKey | IHGSAQHSAGRWNI-UHFFFAOYSA-N |
| Molecular Weight | 253.018 g/mol |
| SMILES | C(C(C1=CC=C(C=C1)Br)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.912248 |