| SpectraBase Compound ID | HiEDAkKaJjE |
|---|---|
| InChI | InChI=1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3 |
| InChIKey | SZDWTGAORQQQGY-UHFFFAOYSA-N |
| Mol Weight | 217.04 g/mol |
| Molecular Formula | C8H6BrFO |
| Exact Mass | 215.958606 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 52HRlb2qSC4 |
|---|---|
| Name | 3'-Bromo-4'-fluoroacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.958605975 u |
| Formula | C8H6BrFO |
| InChI | InChI=1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3 |
| InChIKey | SZDWTGAORQQQGY-UHFFFAOYSA-N |
| Molecular Weight | 217.037 g/mol |
| SMILES | C1(Br)=CC(=CC=C1F)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.962642 |