| SpectraBase Compound ID | JJQxsTanzDF |
|---|---|
| InChI | InChI=1S/C8H6BrFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2 |
| InChIKey | QDNWNJSLWKHNTM-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 | GevsmSjijgu |
|---|---|
| Name | 2-Bromo-2'-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/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2 |
| InChIKey | QDNWNJSLWKHNTM-UHFFFAOYSA-N |
| Molecular Weight | 217.037 g/mol |
| SMILES | C1=C(C(=CC=C1)F)C(CBr)=O |
| Spectrum/Structure Validation Score (Raman) | 0.88798 |