| SpectraBase Compound ID | EVxbmo2jd3O |
|---|---|
| InChI | InChI=1S/C6H4F2IN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 |
| InChIKey | XBOMEOMTVVEEDW-UHFFFAOYSA-N |
| Mol Weight | 255.01 g/mol |
| Molecular Formula | C6H4F2IN |
| Exact Mass | 254.93565 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LT2c1hqKaMY |
|---|---|
| Name | 4,5-Difluoro-2-iodoaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.935650459 u |
| Formula | C6H4F2IN |
| InChI | InChI=1S/C6H4F2IN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2 |
| InChIKey | XBOMEOMTVVEEDW-UHFFFAOYSA-N |
| Molecular Weight | 255.006 g/mol |
| SMILES | C1(I)=C(C=C(C(=C1)F)F)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952596 |