| SpectraBase Compound ID | cP6f9JqK7u |
|---|---|
| InChI | InChI=1S/C6H3Cl2F/c7-4-1-2-5(8)6(9)3-4/h1-3H |
| InChIKey | BJQTYCQGIXZSNM-UHFFFAOYSA-N |
| Mol Weight | 164.99 g/mol |
| Molecular Formula | C6H3Cl2F |
| Exact Mass | 163.959584 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8tjstGqOGy1 |
|---|---|
| Name | 1,4-Dichloro-2-fluorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.959583660 u |
| Formula | C6H3Cl2F |
| InChI | InChI=1S/C6H3Cl2F/c7-4-1-2-5(8)6(9)3-4/h1-3H |
| InChIKey | BJQTYCQGIXZSNM-UHFFFAOYSA-N |
| Molecular Weight | 164.994 g/mol |
| SMILES | C1=C(C=C(C(=C1)Cl)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946001 |