| SpectraBase Compound ID | JxUPBu60ggo |
|---|---|
| InChI | InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3H,12H2 |
| InChIKey | UKKWTZPXYIYONW-UHFFFAOYSA-N |
| Mol Weight | 287.02 g/mol |
| Molecular Formula | C7H5F3IN |
| Exact Mass | 286.941879 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4cBPLOi4zKx |
|---|---|
| Name | 2-Iodo-4-trifluoromethylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.941878654 u |
| Formula | C7H5F3IN |
| InChI | InChI=1S/C7H5F3IN/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3H,12H2 |
| InChIKey | UKKWTZPXYIYONW-UHFFFAOYSA-N |
| Molecular Weight | 287.024 g/mol |
| SMILES | C=1(N)C(=CC(=CC1)C(F)(F)F)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946193 |