![7-{2-[4-(p-fluorobenzoyl)piperidino]ethyl]theophylline](/api/spectrum/HJsgUEqAnwB/structure.png?h=300&w=458 "7-{2-[4-(p-fluorobenzoyl)piperidino]ethyl]theophylline")
| SpectraBase Compound ID | 9w90AhVtiV0 |
|---|---|
| InChI | InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3 |
| InChIKey | PMEYQPKJAPXGPS-UHFFFAOYSA-N |
| Mol Weight | 413.45 g/mol |
| Molecular Formula | C21H24FN5O3 |
| Exact Mass | 413.186318 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJsgUEqAnwB |
|---|---|
| Name | 7-{2-[4-(p-fluorobenzoyl)piperidino]ethyl]theophylline |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24FN5O3 |
| InChI | InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3 |
| InChIKey | PMEYQPKJAPXGPS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 44156M |
| Solvent | CDCl3 |