| SpectraBase Compound ID | GUYi2spRUKE |
|---|---|
| InChI | InChI=1S/C7H3F4NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H |
| InChIKey | PGISCPIWSHGJJJ-UHFFFAOYSA-N |
| Mol Weight | 225.1 g/mol |
| Molecular Formula | C7H3F4NO3 |
| Exact Mass | 225.004906 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H94j8WjIIZU |
|---|---|
| Name | 4-Fluoro-2-nitro-1-(trifluoromethoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.004905610 u |
| Formula | C7H3F4NO3 |
| InChI | InChI=1S/C7H3F4NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H |
| InChIKey | PGISCPIWSHGJJJ-UHFFFAOYSA-N |
| Molecular Weight | 225.099 g/mol |
| SMILES | C(F)(F)(F)OC1=C(C=C(C=C1)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976047 |