| SpectraBase Compound ID | 5mnUP9pHcJt |
|---|---|
| InChI | InChI=1S/C7H3ClF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H |
| InChIKey | DDNRGAUZMIFKQS-UHFFFAOYSA-N |
| Mol Weight | 225.55 g/mol |
| Molecular Formula | C7H3ClF3NO2 |
| Exact Mass | 224.980441 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LmeToVFGneh |
|---|---|
| Name | 4-Chloro-2-nitro-1-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.980440528 u |
| Formula | C7H3ClF3NO2 |
| InChI | InChI=1S/C7H3ClF3NO2/c8-4-1-2-5(7(9,10)11)6(3-4)12(13)14/h1-3H |
| InChIKey | DDNRGAUZMIFKQS-UHFFFAOYSA-N |
| Molecular Weight | 225.554 g/mol |
| SMILES | C1(N(=O)=O)=C(C(F)(F)F)C=CC(=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982554 |