| SpectraBase Compound ID | A3O3Ry6V1sF |
|---|---|
| InChI | InChI=1S/C15H18FNO3/c1-3-6-11(2)20-15(19)10-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-11H,3,6H2,1-2H3,(H,17,18)/b10-9+ |
| InChIKey | ADIFTWWNOSFOJS-MDZDMXLPSA-N |
| Mol Weight | 279.31 g/mol |
| Molecular Formula | C15H18FNO3 |
| Exact Mass | 279.127072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgVGk2MKtB0 |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.127071604 u |
| Formula | C15H18FNO3 |
| InChI | InChI=1S/C15H18FNO3/c1-3-6-11(2)20-15(19)10-9-14(18)17-13-8-5-4-7-12(13)16/h4-5,7-11H,3,6H2,1-2H3,(H,17,18)/b10-9+ |
| InChIKey | ADIFTWWNOSFOJS-MDZDMXLPSA-N |
| Molecular Weight | 279.311 g/mol |
| SMILES | C1=CC=C(C(=C1)F)NC(\C=C\C(=O)OC(C)CCC)=O |