| SpectraBase Compound ID | 94UsVbEg7Ey |
|---|---|
| InChI | InChI=1S/C15H18FNO3/c1-2-20-15(19)11-6-8-17(9-7-11)14(18)12-4-3-5-13(16)10-12/h3-5,10-11H,2,6-9H2,1H3 |
| InChIKey | NNBJXMMSNYUVRG-UHFFFAOYSA-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 | GRrRwgYJzTY |
|---|---|
| Name | Isonipecotic acid, N-(3-fluorobenzoyl)-, ethyl 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/c1-2-20-15(19)11-6-8-17(9-7-11)14(18)12-4-3-5-13(16)10-12/h3-5,10-11H,2,6-9H2,1H3 |
| InChIKey | NNBJXMMSNYUVRG-UHFFFAOYSA-N |
| Molecular Weight | 279.311 g/mol |
| SMILES | C(C1CCN(C(=O)C=2C=CC=C(F)C2)CC1)(OCC)=O |