| SpectraBase Compound ID | IylesG34vY1 |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-3-5-6-10-16-12(14)8-7-11(13)15-9-4-2/h3H,1,4-10H2,2H3 |
| InChIKey | PBAMUIXLIQFUFN-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 51rvkXwxKZM |
|---|---|
| Name | Succinic acid, pent-4-enyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-3-5-6-10-16-12(14)8-7-11(13)15-9-4-2/h3H,1,4-10H2,2H3 |
| InChIKey | PBAMUIXLIQFUFN-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C=CCCCOC(CCC(OCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961707 |