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1-(4-Fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol

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

1-(4-Fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol
SpectraBase Compound ID 97YCalUCSSz
InChI InChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9,17,24H,1,3,10-14H2
InChIKey ZTPBJWUQRZTCOT-UHFFFAOYSA-N
Mol Weight 330.41 g/mol
Molecular Formula C18H23FN4O
Exact Mass 330.18559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Liuxwr52pD
Name 1-(4-Fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.185589539 u
Formula C18H23FN4O
InChI InChI=1S/C18H23FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9,17,24H,1,3,10-14H2
InChIKey ZTPBJWUQRZTCOT-UHFFFAOYSA-N
Molecular Weight 330.407 g/mol
SMILES C1(N2CCN(CC2)CCCC(C2=CC=C(C=C2)F)O)=NC=CC=N1