| SpectraBase Compound ID | 3xtixau0akv |
|---|---|
| InChI | InChI=1S/C8H6F2INO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13) |
| InChIKey | LZBGKROJQKENES-UHFFFAOYSA-N |
| Mol Weight | 297.04 g/mol |
| Molecular Formula | C8H6F2INO |
| Exact Mass | 296.946215 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HqYWYeE2lmS |
|---|---|
| Name | 2,2-Difluoro-2-iodo-N-phenylacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.946215142 u |
| Formula | C8H6F2INO |
| InChI | InChI=1S/C8H6F2INO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13) |
| InChIKey | LZBGKROJQKENES-UHFFFAOYSA-N |
| Molecular Weight | 297.043 g/mol |
| SMILES | C(NC1=CC=CC=C1)(=O)C(F)(I)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854681 |