| SpectraBase Compound ID | 5ClzWVZyqD3 |
|---|---|
| InChI | InChI=1S/C7H6BrF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3 |
| InChIKey | VXKYOKPNAXNAFU-UHFFFAOYSA-N |
| Mol Weight | 189.03 g/mol |
| Molecular Formula | C7H6BrF |
| Exact Mass | 187.963691 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H9faOXOIuIi |
|---|---|
| Name | 5-Bromo-2-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/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3 |
| InChIKey | VXKYOKPNAXNAFU-UHFFFAOYSA-N |
| Molecular Weight | 189.027 g/mol |
| SMILES | C=1C(=C(C=CC1Br)F)C |
| Spectrum/Structure Validation Score (Raman) | 0.857595 |