| SpectraBase Compound ID | A3xJVqMHjTa |
|---|---|
| InChI | InChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3 |
| InChIKey | LHPJOUKIBAEPMW-UHFFFAOYSA-N |
| Mol Weight | 144.58 g/mol |
| Molecular Formula | C7H6ClF |
| Exact Mass | 144.014206 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JPdKgVsQlOE |
|---|---|
| Name | 3-Chloro-2-fluorotoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.014206056 u |
| Formula | C7H6ClF |
| InChI | InChI=1S/C7H6ClF/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3 |
| InChIKey | LHPJOUKIBAEPMW-UHFFFAOYSA-N |
| Molecular Weight | 144.576 g/mol |
| SMILES | C1(=C(C=CC=C1Cl)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951571 |