| SpectraBase Compound ID | FgRIDquLLAu |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-7-8-10-14(4)20-16(18)12-11-15(17)19-13(3)9-6-2/h11-14H,5-10H2,1-4H3/b12-11+ |
| InChIKey | QCGOKEBWGSGEOY-VAWYXSNFSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JxIbPvyyigd |
|---|---|
| Name | Fumaric acid, 2-pentyl hept-2-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-7-8-10-14(4)20-16(18)12-11-15(17)19-13(3)9-6-2/h11-14H,5-10H2,1-4H3/b12-11+ |
| InChIKey | QCGOKEBWGSGEOY-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC(CCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975473 |