| SpectraBase Compound ID | 2cvX7wlxplK |
|---|---|
| InChI | InChI=1S/C17H23NO3/c1-4-8-13(3)21-17(20)12-11-16(19)18-15-10-7-6-9-14(15)5-2/h6-7,9-13H,4-5,8H2,1-3H3,(H,18,19)/b12-11+ |
| InChIKey | AIXXNEVYBPOHAY-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 | Gq5XHTxbElM |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-ethylphenyl)-, 2-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/c1-4-8-13(3)21-17(20)12-11-16(19)18-15-10-7-6-9-14(15)5-2/h6-7,9-13H,4-5,8H2,1-3H3,(H,18,19)/b12-11+ |
| InChIKey | AIXXNEVYBPOHAY-VAWYXSNFSA-N |
| SMILES | CCC=1C(NC(\C=C\C(=O)OC(C)CCC)=O)=CC=CC1 |