| SpectraBase Compound ID | 7ixyoPn1ScX |
|---|---|
| InChI | InChI=1S/C7H3F4NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H |
| InChIKey | XWFNBCCMBGKMFB-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 | 5RlYMhD4Dm1 |
|---|---|
| Name | 1-Fluoro-2-nitro-4-(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/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H |
| InChIKey | XWFNBCCMBGKMFB-UHFFFAOYSA-N |
| Molecular Weight | 225.099 g/mol |
| SMILES | C(F)(F)(F)OC1=CC(=C(C=C1)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843823 |