| SpectraBase Compound ID | nXvNStfMw4 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-13(6-2)9-10-14(7-3)20-16(18)12-11-15(17)19-8-4/h11-14H,5-10H2,1-4H3/b12-11+ |
| InChIKey | ILGQGWVCTVEOKK-VAWYXSNFSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1V2kQXF2W3G |
|---|---|
| Name | Fumaric acid, ethyl 6-ethyloct-3-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/c1-5-13(6-2)9-10-14(7-3)20-16(18)12-11-15(17)19-8-4/h11-14H,5-10H2,1-4H3/b12-11+ |
| InChIKey | ILGQGWVCTVEOKK-VAWYXSNFSA-N |
| SMILES | C(OC(\C=C\C(OC(CCC(CC)CC)CC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979086 |