| SpectraBase Compound ID | I1GJt64NhNy |
|---|---|
| InChI | InChI=1S/C7H4FIO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H |
| InChIKey | XULKBHBAGSJSFP-UHFFFAOYSA-N |
| Mol Weight | 250.01 g/mol |
| Molecular Formula | C7H4FIO |
| Exact Mass | 249.929088 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A6XM1a2M4ZH |
|---|---|
| Name | 3-Fluoro-5-iodobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.929087911 u |
| Formula | C7H4FIO |
| InChI | InChI=1S/C7H4FIO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H |
| InChIKey | XULKBHBAGSJSFP-UHFFFAOYSA-N |
| Molecular Weight | 250.011 g/mol |
| SMILES | C1(I)=CC(=CC(=C1)C=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933812 |