| SpectraBase Compound ID | A4CxbL6Wzgl |
|---|---|
| InChI | InChI=1S/C7H6BrF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3 |
| InChIKey | DJGXPFQIMLEVPA-UHFFFAOYSA-N |
| Mol Weight | 189.03 g/mol |
| Molecular Formula | C7H6BrF |
| Exact Mass | 187.963691 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4kyoDMKQkTo |
|---|---|
| Name | 2-Bromo-6-fluorotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.963691356 u |
| Formula | C7H6BrF |
| InChI | InChI=1S/C7H6BrF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3 |
| InChIKey | DJGXPFQIMLEVPA-UHFFFAOYSA-N |
| Molecular Weight | 189.027 g/mol |
| SMILES | C1(=CC=CC(=C1C)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848763 |