| SpectraBase Compound ID | 8lQcAPWDcjT |
|---|---|
| InChI | InChI=1S/C9H4F4O2/c1-3(15)5-4(2-14)6(10)8(12)9(13)7(5)11/h2H,1H3 |
| InChIKey | GIWVVYJVBPVRSH-UHFFFAOYSA-N |
| Mol Weight | 220.12 g/mol |
| Molecular Formula | C9H4F4O2 |
| Exact Mass | 220.014742 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kd0Q3ANCnnz |
|---|---|
| Name | 2-Acetyl-3,4,5,6-tetrafluorobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.014742019 u |
| Formula | C9H4F4O2 |
| InChI | InChI=1S/C9H4F4O2/c1-3(15)5-4(2-14)6(10)8(12)9(13)7(5)11/h2H,1H3 |
| InChIKey | GIWVVYJVBPVRSH-UHFFFAOYSA-N |
| Molecular Weight | 220.123 g/mol |
| SMILES | C1(=C(C(=C(C(=C1C(=O)C)C=O)F)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944884 |