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2-(4-Methoxyphenyl)-4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}quinoline
SpectraBase Compound ID Gsmsp3EBsRy
InChI InChI=1S/C28H27N3O3/c1-33-21-13-11-20(12-14-21)25-19-23(22-7-3-4-8-24(22)29-25)28(32)31-17-15-30(16-18-31)26-9-5-6-10-27(26)34-2/h3-14,19H,15-18H2,1-2H3
InChIKey FDFOMTGWJDPGAR-UHFFFAOYSA-N
Mol Weight 453.54 g/mol
Molecular Formula C28H27N3O3
Exact Mass 453.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95NJ5rShgfh
Name 2-(4-Methoxyphenyl)-4-{[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl}quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.205241738 u
Formula C28H27N3O3
InChI InChI=1S/C28H27N3O3/c1-33-21-13-11-20(12-14-21)25-19-23(22-7-3-4-8-24(22)29-25)28(32)31-17-15-30(16-18-31)26-9-5-6-10-27(26)34-2/h3-14,19H,15-18H2,1-2H3
InChIKey FDFOMTGWJDPGAR-UHFFFAOYSA-N
Molecular Weight 453.542 g/mol
SMILES C=1(C(N2CCN(CC2)C2=C(OC)C=CC=C2)=O)C=C(C=2C=CC(=CC2)OC)N=C2C1C=CC=C2