| SpectraBase Compound ID | 4N1R8c5aG5Z |
|---|---|
| InChI | InChI=1S/C7H3F4I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H |
| InChIKey | VQJMGRSHTFVCQE-UHFFFAOYSA-N |
| Mol Weight | 290.0 g/mol |
| Molecular Formula | C7H3F4I |
| Exact Mass | 289.921558 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EPMWBBZoY6 |
|---|---|
| Name | 2-Fluoro-1-iodo-4-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.921557749 u |
| Formula | C7H3F4I |
| InChI | InChI=1S/C7H3F4I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H |
| InChIKey | VQJMGRSHTFVCQE-UHFFFAOYSA-N |
| Molecular Weight | 289.999 g/mol |
| SMILES | C(C=1C=C(F)C(=CC1)I)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950273 |