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2-(3,4-Dimethylphenyl)-4-{[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}quinoline

View entire compound with spectra: 2 NMR

2-(3,4-Dimethylphenyl)-4-{[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}quinoline
SpectraBase Compound ID LKAav3xAXwP
InChI InChI=1S/C28H26FN3O/c1-19-7-8-21(17-20(19)2)27-18-25(24-5-3-4-6-26(24)30-27)28(33)32-15-13-31(14-16-32)23-11-9-22(29)10-12-23/h3-12,17-18H,13-16H2,1-2H3
InChIKey AJMNBUAFERHSGH-UHFFFAOYSA-N
Mol Weight 439.53 g/mol
Molecular Formula C28H26FN3O
Exact Mass 439.205991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aroft7nm7we
Name 2-(3,4-Dimethylphenyl)-4-{[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.205990631 u
Formula C28H26FN3O
InChI InChI=1S/C28H26FN3O/c1-19-7-8-21(17-20(19)2)27-18-25(24-5-3-4-6-26(24)30-27)28(33)32-15-13-31(14-16-32)23-11-9-22(29)10-12-23/h3-12,17-18H,13-16H2,1-2H3
InChIKey AJMNBUAFERHSGH-UHFFFAOYSA-N
Molecular Weight 439.534 g/mol
SMILES C=1(C(N2CCN(CC2)C2=CC=C(C=C2)F)=O)C=C(C2=CC(C)=C(C=C2)C)N=C2C1C=CC=C2