| SpectraBase Compound ID | 59inIW7rHgE |
|---|---|
| InChI | InChI=1S/C17H22FNO3/c1-2-3-12-22-17(21)14-8-10-19(11-9-14)16(20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3 |
| InChIKey | UEWSLCIHCLUWND-UHFFFAOYSA-N |
| Mol Weight | 307.37 g/mol |
| Molecular Formula | C17H22FNO3 |
| Exact Mass | 307.158372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VkAyWLTlPR |
|---|---|
| Name | Isonipecotic acid, N-(4-fluorobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.158371732 u |
| Formula | C17H22FNO3 |
| InChI | InChI=1S/C17H22FNO3/c1-2-3-12-22-17(21)14-8-10-19(11-9-14)16(20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3 |
| InChIKey | UEWSLCIHCLUWND-UHFFFAOYSA-N |
| Molecular Weight | 307.365 g/mol |
| SMILES | CCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)F)CC1)=O |