| SpectraBase Compound ID | AJrg6JK2ZoN |
|---|---|
| InChI | InChI=1S/C6H3ClFI/c7-5-3-4(9)1-2-6(5)8/h1-3H |
| InChIKey | OMASDGWBVAVFQZ-UHFFFAOYSA-N |
| Mol Weight | 256.45 g/mol |
| Molecular Formula | C6H3ClFI |
| Exact Mass | 255.895201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CamrGnJJV9D |
|---|---|
| Name | 3-Chloro-4-fluoroiodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.895200960 u |
| Formula | C6H3ClFI |
| InChI | InChI=1S/C6H3ClFI/c7-5-3-4(9)1-2-6(5)8/h1-3H |
| InChIKey | OMASDGWBVAVFQZ-UHFFFAOYSA-N |
| Molecular Weight | 256.446 g/mol |
| SMILES | C1(=CC=C(C=C1Cl)I)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835296 |