| SpectraBase Compound ID | 54gm0PF8ieW |
|---|---|
| InChI | InChI=1S/C7H5BrClF/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2 |
| InChIKey | GAUUDQVOPUKGJD-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 | 8BkusIsDQQm |
|---|---|
| Name | 1-(Bromomethyl)-2-chloro-4-fluorobenzene |
| 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/c8-4-5-1-2-6(10)3-7(5)9/h1-3H,4H2 |
| InChIKey | GAUUDQVOPUKGJD-UHFFFAOYSA-N |
| Molecular Weight | 223.472 g/mol |
| SMILES | C1=C(C(=CC=C1F)CBr)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903775 |