| SpectraBase Compound ID | IMtMekyKOEq |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-2-3-4-8-13-19-15(17)11-12-16(18)20-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3/b12-11+ |
| InChIKey | AFKVNDJIRZBOAK-VAWYXSNFSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61QXb8yAt8M |
|---|---|
| Name | Fumaric acid, hexyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-2-3-4-8-13-19-15(17)11-12-16(18)20-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3/b12-11+ |
| InChIKey | AFKVNDJIRZBOAK-VAWYXSNFSA-N |
| SMILES | C(\C=C\C(OC1=CC=CC=C1)=O)(OCCCCCC)=O |