| SpectraBase Compound ID | 7G5QT2WpoX5 |
|---|---|
| InChI | InChI=1S/C7H11IO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3 |
| InChIKey | NWYOFLRIYRNYAR-UHFFFAOYSA-N |
| Mol Weight | 286.07 g/mol |
| Molecular Formula | C7H11IO4 |
| Exact Mass | 285.970204 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7STF1reSAL0 |
|---|---|
| Name | 2-Iodomalonic acid diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.970203830 u |
| Formula | C7H11IO4 |
| InChI | InChI=1S/C7H11IO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3 |
| InChIKey | NWYOFLRIYRNYAR-UHFFFAOYSA-N |
| Molecular Weight | 286.065 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98924 |