| SpectraBase Compound ID | IOL3YVrBdc7 |
|---|---|
| InChI | InChI=1S/C5H5IO2/c1-3-4(6)5(7)8-2/h1H2,2H3 |
| InChIKey | RICNTWKTBLIZKD-UHFFFAOYSA-N |
| Mol Weight | 224.0 g/mol |
| Molecular Formula | C5H5IO2 |
| Exact Mass | 223.933424 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CHPz9wg5apr |
|---|---|
| Name | 2-Iodobuta-2,3-dienoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.933424399 u |
| Formula | C5H5IO2 |
| InChI | InChI=1S/C5H5IO2/c1-3-4(6)5(7)8-2/h1H2,2H3 |
| InChIKey | RICNTWKTBLIZKD-UHFFFAOYSA-N |
| Molecular Weight | 223.997 g/mol |
| SMILES | C(C(=O)OC)(=C=C)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919639 |