| SpectraBase Compound ID | 5jWEBdk9rDv |
|---|---|
| InChI | InChI=1S/C19H20FN3/c20-18-6-8-19(9-7-18)23-14-12-22(13-15-23)11-2-1-4-17-5-3-10-21-16-17/h3,5-10,16H,2,11-15H2 |
| InChIKey | KPSYTMDZRNIFGA-UHFFFAOYSA-N |
| Mol Weight | 309.39 g/mol |
| Molecular Formula | C19H20FN3 |
| Exact Mass | 309.164126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XOBt8mY89H |
|---|---|
| Name | 1-(4-Fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.164125819 u |
| Formula | C19H20FN3 |
| InChI | InChI=1S/C19H20FN3/c20-18-6-8-19(9-7-18)23-14-12-22(13-15-23)11-2-1-4-17-5-3-10-21-16-17/h3,5-10,16H,2,11-15H2 |
| InChIKey | KPSYTMDZRNIFGA-UHFFFAOYSA-N |
| Molecular Weight | 309.388 g/mol |
| SMILES | C1N(CCN(C1)CCC#CC=1C=NC=CC1)C=1C=CC(=CC1)F |