| SpectraBase Compound ID | 7pluMqgGRes |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-3-5-6-13-21-17(20)12-11-16(19)18-15-9-7-14(4-2)8-10-15/h7-12H,3-6,13H2,1-2H3,(H,18,19)/b12-11+ |
| InChIKey | LWEJLBKIZJGYMN-VAWYXSNFSA-N |
| Mol Weight | 289.38 g/mol |
| Molecular Formula | C17H23NO3 |
| Exact Mass | 289.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CrfVGa5ZPac |
|---|---|
| Name | Fumaric acid, monoamide, N-(4-ethylphenyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.167793602 u |
| Formula | C17H23NO3 |
| InChI | InChI=1S/C17H23NO3/c1-3-5-6-13-21-17(20)12-11-16(19)18-15-9-7-14(4-2)8-10-15/h7-12H,3-6,13H2,1-2H3,(H,18,19)/b12-11+ |
| InChIKey | LWEJLBKIZJGYMN-VAWYXSNFSA-N |
| SMILES | C1=C(C=CC(=C1)CC)NC(\C=C\C(OCCCCC)=O)=O |