| SpectraBase Compound ID | C5iBHe7ad3C |
|---|---|
| InChI | InChI=1S/C6H5FIN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2 |
| InChIKey | WFIMPUNNSNCOAZ-UHFFFAOYSA-N |
| Mol Weight | 237.02 g/mol |
| Molecular Formula | C6H5FIN |
| Exact Mass | 236.945072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LRRzB1KkOSN |
|---|---|
| Name | 3-Fluoro-2-iodoaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.945072328 u |
| Formula | C6H5FIN |
| InChI | InChI=1S/C6H5FIN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2 |
| InChIKey | WFIMPUNNSNCOAZ-UHFFFAOYSA-N |
| Molecular Weight | 237.016 g/mol |
| SMILES | C=1C(F)=C(C(=CC1)N)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939536 |