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Ethyl 4-(4-chlorophenyl)-2-[(4-methyl)-1-piperazinyl]-6-phenyl-3-pyridinecarboxylate
SpectraBase Compound ID Khh412veB7y
InChI InChI=1S/C25H26ClN3O2/c1-3-31-25(30)23-21(18-9-11-20(26)12-10-18)17-22(19-7-5-4-6-8-19)27-24(23)29-15-13-28(2)14-16-29/h4-12,17H,3,13-16H2,1-2H3
InChIKey UQOISOLSLNWSAE-UHFFFAOYSA-N
Mol Weight 435.96 g/mol
Molecular Formula C25H26ClN3O2
Exact Mass 435.171355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RwbqEG7B8W
Name Ethyl 4-(4-chlorophenyl)-2-[(4-methyl)-1-piperazinyl]-6-phenyl-3-pyridinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 435.171354787 u
Formula C25H26ClN3O2
InChI InChI=1S/C25H26ClN3O2/c1-3-31-25(30)23-21(18-9-11-20(26)12-10-18)17-22(19-7-5-4-6-8-19)27-24(23)29-15-13-28(2)14-16-29/h4-12,17H,3,13-16H2,1-2H3
InChIKey UQOISOLSLNWSAE-UHFFFAOYSA-N
Molecular Weight 435.955 g/mol
SMILES C=1(C(=C(C=C(N1)C=1C=CC=CC1)C=1C=CC(=CC1)Cl)C(=O)OCC)N1CCN(CC1)C