| SpectraBase Compound ID | BovJ59uyipZ |
|---|---|
| InChI | InChI=1S/C7H5BrClF/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3 |
| InChIKey | KKCFZSZRHRVSRA-UHFFFAOYSA-N |
| Mol Weight | 223.47 g/mol |
| Molecular Formula | C7H5BrClF |
| Exact Mass | 221.924719 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ByG2Q8Uq8gX |
|---|---|
| Name | 1-Bromo-2-chloro-5-fluoro-4-methylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.924719024 u |
| Formula | C7H5BrClF |
| InChI | InChI=1S/C7H5BrClF/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3 |
| InChIKey | KKCFZSZRHRVSRA-UHFFFAOYSA-N |
| Molecular Weight | 223.472 g/mol |
| SMILES | C1(F)=C(C=C(C(=C1)Br)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868527 |