| SpectraBase Compound ID | FAMpqXNWebP |
|---|---|
| InChI | InChI=1S/C14H16FNO3/c1-2-3-10-19-14(18)9-8-13(17)16-12-7-5-4-6-11(12)15/h4-9H,2-3,10H2,1H3,(H,16,17)/b9-8+ |
| InChIKey | LKSRNQNUDDZXLA-CMDGGOBGSA-N |
| Mol Weight | 265.28 g/mol |
| Molecular Formula | C14H16FNO3 |
| Exact Mass | 265.111422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3xPCwx9DXzH |
|---|---|
| Name | Fumaric acid, monoamide, N-(2-fluorophenyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.111421539 u |
| Formula | C14H16FNO3 |
| InChI | InChI=1S/C14H16FNO3/c1-2-3-10-19-14(18)9-8-13(17)16-12-7-5-4-6-11(12)15/h4-9H,2-3,10H2,1H3,(H,16,17)/b9-8+ |
| InChIKey | LKSRNQNUDDZXLA-CMDGGOBGSA-N |
| Molecular Weight | 265.284 g/mol |
| SMILES | C(\C=C\C(NC1=C(C=CC=C1)F)=O)(OCCCC)=O |