| SpectraBase Compound ID | Bpf0qtNFiwn |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-3-5-8-13-21-17(20)12-11-16(19)18-15-10-7-6-9-14(15)4-2/h6-7,9-12H,3-5,8,13H2,1-2H3,(H,18,19)/b12-11+ |
| InChIKey | CFBCUOIOWPPJGU-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 | BASVYO6pvOB |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-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/c1-3-5-8-13-21-17(20)12-11-16(19)18-15-10-7-6-9-14(15)4-2/h6-7,9-12H,3-5,8,13H2,1-2H3,(H,18,19)/b12-11+ |
| InChIKey | CFBCUOIOWPPJGU-VAWYXSNFSA-N |
| SMILES | CCCCCOC(\C=C\C(NC1=CC=CC=C1CC)=O)=O |