| SpectraBase Compound ID | LiZQbuZ7402 |
|---|---|
| InChI | InChI=1S/C7H3ClF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H |
| InChIKey | JWVLYCBMEWUAIX-UHFFFAOYSA-N |
| Mol Weight | 198.55 g/mol |
| Molecular Formula | C7H3ClF4 |
| Exact Mass | 197.98594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7moiVrF8O8M |
|---|---|
| Name | 2-Chloro-3-fluorobenzotrifluoride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.985940449 u |
| Formula | C7H3ClF4 |
| InChI | InChI=1S/C7H3ClF4/c8-6-4(7(10,11)12)2-1-3-5(6)9/h1-3H |
| InChIKey | JWVLYCBMEWUAIX-UHFFFAOYSA-N |
| Molecular Weight | 198.548 g/mol |
| SMILES | C(F)(F)(F)C1=C(C(=CC=C1)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932471 |