| SpectraBase Compound ID | BAh8jTQFlG6 |
|---|---|
| InChI | InChI=1S/C9H10BrF/c1-2-3-7-4-5-8(10)9(11)6-7/h4-6H,2-3H2,1H3 |
| InChIKey | NYAHPJZGIZIGEL-UHFFFAOYSA-N |
| Mol Weight | 217.08 g/mol |
| Molecular Formula | C9H10BrF |
| Exact Mass | 215.994991 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4rvUUSFJtrB |
|---|---|
| Name | 1-Bromo-2-fluoro-4-propylbenzene |
| 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/c1-2-3-7-4-5-8(10)9(11)6-7/h4-6H,2-3H2,1H3 |
| InChIKey | NYAHPJZGIZIGEL-UHFFFAOYSA-N |
| Molecular Weight | 217.081 g/mol |
| SMILES | C1(Br)=CC=C(CCC)C=C1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814153 |