| SpectraBase Compound ID | 69VC0gh4WYY |
|---|---|
| InChI | InChI=1S/C10H9F2NO/c11-9(12)6-7-10(14)13-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14) |
| InChIKey | BGSSMJYKJJREAJ-UHFFFAOYSA-N |
| Mol Weight | 197.18 g/mol |
| Molecular Formula | C10H9F2NO |
| Exact Mass | 197.06522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lk2u7gB3tp7 |
|---|---|
| Name | 3-Butenamide, 4,4-difluoro-N-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.065220239 u |
| Formula | C10H9F2NO |
| InChI | InChI=1S/C10H9F2NO/c11-9(12)6-7-10(14)13-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14) |
| InChIKey | BGSSMJYKJJREAJ-UHFFFAOYSA-N |
| Molecular Weight | 197.185 g/mol |
| SMILES | C1=CC=CC(=C1)NC(=O)CC=C(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963317 |