| SpectraBase Compound ID | 65rqVgb84la |
|---|---|
| InChI | InChI=1S/C4H4I2O2/c5-2-3(6)1-4(7)8/h1H,2H2,(H,7,8)/b3-1+ |
| InChIKey | SXUJRCZGDQJLFV-HNQUOIGGSA-N |
| Mol Weight | 337.88 g/mol |
| Molecular Formula | C4H4I2O2 |
| Exact Mass | 337.830069 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DplfWsWrTIj |
|---|---|
| Name | (E)-3,4-Diiodobut-2-enoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.830069367 u |
| Formula | C4H4I2O2 |
| InChI | InChI=1S/C4H4I2O2/c5-2-3(6)1-4(7)8/h1H,2H2,(H,7,8)/b3-1+ |
| InChIKey | SXUJRCZGDQJLFV-HNQUOIGGSA-N |
| Molecular Weight | 337.883 g/mol |
| SMILES | C(\C=C/(I)CI)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989396 |