| SpectraBase Compound ID | EVGUoaLAXhQ |
|---|---|
| InChI | InChI=1S/C19H26FNO3/c1-2-3-4-5-13-24-19(23)15-9-11-21(12-10-15)18(22)16-7-6-8-17(20)14-16/h6-8,14-15H,2-5,9-13H2,1H3 |
| InChIKey | FUISDTAITLIGCD-UHFFFAOYSA-N |
| Mol Weight | 335.42 g/mol |
| Molecular Formula | C19H26FNO3 |
| Exact Mass | 335.189672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1YQirMDoYSH |
|---|---|
| Name | Isonipecotic acid, N-(3-fluorobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.189671861 u |
| Formula | C19H26FNO3 |
| InChI | InChI=1S/C19H26FNO3/c1-2-3-4-5-13-24-19(23)15-9-11-21(12-10-15)18(22)16-7-6-8-17(20)14-16/h6-8,14-15H,2-5,9-13H2,1H3 |
| InChIKey | FUISDTAITLIGCD-UHFFFAOYSA-N |
| Molecular Weight | 335.419 g/mol |
| SMILES | CCCCCCOC(C1CCN(C(=O)C2=CC=CC(=C2)F)CC1)=O |