| SpectraBase Compound ID | 6fIwdDR6WNc |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | SNZFLJWANPHXKY-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GAqqTcwumBf |
|---|---|
| Name | 2-(3-Butenyl)malonic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | SNZFLJWANPHXKY-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(CC(C(=O)OCC)C(OCC)=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97656 |