| SpectraBase Compound ID | DYDv36IBuvC |
|---|---|
| InChI | InChI=1S/C9H8BrFO2/c1-2-8(12)6-3-5(11)4-7(10)9(6)13/h3-4,13H,2H2,1H3 |
| InChIKey | HPOQYGSGVWZJRQ-UHFFFAOYSA-N |
| Mol Weight | 247.06 g/mol |
| Molecular Formula | C9H8BrFO2 |
| Exact Mass | 245.969171 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LMZXy2bIrhJ |
|---|---|
| Name | 3'-Bromo-5'-fluoro-2'-hydroxypropiophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.969170659 u |
| Formula | C9H8BrFO2 |
| InChI | InChI=1S/C9H8BrFO2/c1-2-8(12)6-3-5(11)4-7(10)9(6)13/h3-4,13H,2H2,1H3 |
| InChIKey | HPOQYGSGVWZJRQ-UHFFFAOYSA-N |
| Molecular Weight | 247.063 g/mol |
| SMILES | OC1=C(C=C(C=C1Br)F)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.781253 |