| SpectraBase Compound ID | 8aYAXH8XbSE |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-4-6-9(3)15-11(13)8-7-10(12)14-5-2/h7-9H,4-6H2,1-3H3/b8-7+ |
| InChIKey | QCACSIZJIQFMTN-BQYQJAHWSA-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 | 9vzXAff1T1a |
|---|---|
| Name | Fumaric acid, ethyl 2-pentyl 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/c1-4-6-9(3)15-11(13)8-7-10(12)14-5-2/h7-9H,4-6H2,1-3H3/b8-7+ |
| InChIKey | QCACSIZJIQFMTN-BQYQJAHWSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | CCOC(\C=C\C(OC(CCC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.859623 |