| SpectraBase Compound ID | GpGk9lI4ku2 |
|---|---|
| InChI | InChI=1S/C5H7IO2/c1-2-4(6)3-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+ |
| InChIKey | UFNWNYLVHAABMZ-ONEGZZNKSA-N |
| Mol Weight | 226.01 g/mol |
| Molecular Formula | C5H7IO2 |
| Exact Mass | 225.949074 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CYxsFVc1MaV |
|---|---|
| Name | (E)-3-Iodopent-2-enoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.949074463 u |
| Formula | C5H7IO2 |
| InChI | InChI=1S/C5H7IO2/c1-2-4(6)3-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+ |
| InChIKey | UFNWNYLVHAABMZ-ONEGZZNKSA-N |
| Molecular Weight | 226.013 g/mol |
| SMILES | C(\C=C/(CC)I)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96373 |