| SpectraBase Compound ID | Gyl6IWqBIgk |
|---|---|
| InChI | InChI=1S/C15H26O5/c1-3-5-6-7-8-11-19-14(16)9-10-15(17)20-13-12-18-4-2/h9-10H,3-8,11-13H2,1-2H3/b10-9+ |
| InChIKey | DRRCSVWKFVDGSZ-MDZDMXLPSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C15H26O5 |
| Exact Mass | 286.178024 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | frJ90cRqcp |
|---|---|
| Name | Fumaric acid, 2-ethoxyethyl heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.178023932 u |
| Formula | C15H26O5 |
| InChI | InChI=1S/C15H26O5/c1-3-5-6-7-8-11-19-14(16)9-10-15(17)20-13-12-18-4-2/h9-10H,3-8,11-13H2,1-2H3/b10-9+ |
| InChIKey | DRRCSVWKFVDGSZ-MDZDMXLPSA-N |
| SMILES | C(\C=C\C(OCCOCC)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839736 |