| SpectraBase Compound ID | BGTW9gpzLNK |
|---|---|
| InChI | InChI=1S/C6H2F3I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H |
| InChIKey | CTUZRFPGJAMCBX-UHFFFAOYSA-N |
| Mol Weight | 257.98 g/mol |
| Molecular Formula | C6H2F3I |
| Exact Mass | 257.91533 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6qsvUG0kOyI |
|---|---|
| Name | 2,4,6-Trifluoroiodobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.915329553 u |
| Formula | C6H2F3I |
| InChI | InChI=1S/C6H2F3I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H |
| InChIKey | CTUZRFPGJAMCBX-UHFFFAOYSA-N |
| Molecular Weight | 257.982 g/mol |
| SMILES | C1(I)=C(C=C(C=C1F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911487 |