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1-(4-Fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(4-Fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A8Z71XaU2MD
Name 1-(4-Fluorophenyl)-4-(4-pyridin-3-ylbut-3-ynyl)piperazine
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921492