| SpectraBase Compound ID | 9KcOlzMaWSQ |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h7H,4-6H2,1-3H3 |
| InChIKey | PAPNVPZYWVEQOW-UHFFFAOYSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | dNoofG40fj |
|---|---|
| Name | 2-Propylidene-malonic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h7H,4-6H2,1-3H3 |
| InChIKey | PAPNVPZYWVEQOW-UHFFFAOYSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C(C=C(C(=O)OCC)C(OCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98402 |