| SpectraBase Compound ID | 6Fy8WQc2MHX |
|---|---|
| InChI | InChI=1S/C7H4FIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
| InChIKey | XPFMQYOPTHMSJJ-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 | HRkfYe5yjnX |
|---|---|
| Name | 5-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/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
| InChIKey | XPFMQYOPTHMSJJ-UHFFFAOYSA-N |
| Molecular Weight | 266.010 g/mol |
| SMILES | C1(I)=C(C=C(C=C1)F)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969633 |