| SpectraBase Compound ID | GLEivivruvX |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-7-8-9-10-13-19-15(17)11-12-16(18)20-14(5-2)6-3/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey | WZJSUXLLDBGMEI-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 | 4PbwF2VuGAs |
|---|---|
| Name | Fumaric acid, heptyl 3-pentyl 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/c1-4-7-8-9-10-13-19-15(17)11-12-16(18)20-14(5-2)6-3/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey | WZJSUXLLDBGMEI-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OC(CC)CC)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877 |