| SpectraBase Compound ID | 4B6gC5zOqmN |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h3-6H2,1-2H3 |
| InChIKey | ZEFVHSWKYCYFFL-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Au6yiVKafE |
|---|---|
| Name | Itaconic acid diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-4-12-8(10)6-7(3)9(11)13-5-2/h3-6H2,1-2H3 |
| InChIKey | ZEFVHSWKYCYFFL-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | CCOC(=O)C(CC(OCC)=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949566 |