| SpectraBase Compound ID | JHL2TmF1GLB |
|---|---|
| InChI | InChI=1S/C7H4FIO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) |
| InChIKey | CXPLPVNWMLRKTO-UHFFFAOYSA-N |
| Mol Weight | 266.01 g/mol |
| Molecular Formula | C7H4FIO2 |
| Exact Mass | 265.924003 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8CNkD50WGEP |
|---|---|
| Name | 3-Fluoro-2-iodobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.924002530 u |
| Formula | C7H4FIO2 |
| InChI | InChI=1S/C7H4FIO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) |
| InChIKey | CXPLPVNWMLRKTO-UHFFFAOYSA-N |
| Molecular Weight | 266.010 g/mol |
| SMILES | C1(I)=C(C=CC=C1C(=O)O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984081 |