| SpectraBase Compound ID | JBFCl2Fi0fu |
|---|---|
| InChI | InChI=1S/C9H10BrF/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2 |
| InChIKey | SCVWLBZEYMAAHN-UHFFFAOYSA-N |
| Mol Weight | 217.08 g/mol |
| Molecular Formula | C9H10BrF |
| Exact Mass | 215.994991 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BJSy9YEWfOB |
|---|---|
| Name | Benzene, 1-(3-bromopropyl)-4-fluoro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.994991485 u |
| Formula | C9H10BrF |
| InChI | InChI=1S/C9H10BrF/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6H,1-2,7H2 |
| InChIKey | SCVWLBZEYMAAHN-UHFFFAOYSA-N |
| Molecular Weight | 217.081 g/mol |
| SMILES | C1=C(C=CC(=C1)F)CCCBr |
| Spectrum/Structure Validation Score (Raman) | 0.961479 |