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1-FORMYL-4-{4-[[CIS-2-(2,4-DICHLOROPHENYL)-2-[(1H-IMIDAZOL-1-YL)-METHYL]-1,3-DIOXALAN-4-YL]-METHYLENEOXY]-PHENYL}-PIPERAZINE
SpectraBase Compound ID LaCfK9xSl1F
InChI InChI=1S/C25H26Cl2N4O4/c26-19-1-6-23(24(27)13-19)25(16-30-8-7-28-17-30)34-15-22(35-25)14-33-21-4-2-20(3-5-21)31-11-9-29(18-32)10-12-31/h1-8,13,17-18,22H,9-12,14-16H2/t22-,25-/m1/s1
InChIKey JPLSDQWUYZMAGT-RCZVLFRGSA-N
Mol Weight 517.41 g/mol
Molecular Formula C25H26Cl2N4O4
Exact Mass 516.133111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RG8EwZonY7
Name 1-FORMYL-4-{4-[[CIS-2-(2,4-DICHLOROPHENYL)-2-[(1H-IMIDAZOL-1-YL)-METHYL]-1,3-DIOXALAN-4-YL]-METHYLENEOXY]-PHENYL}-PIPERAZINE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26Cl2N4O4
InChI InChI=1S/C25H26Cl2N4O4/c26-19-1-6-23(24(27)13-19)25(16-30-8-7-28-17-30)34-15-22(35-25)14-33-21-4-2-20(3-5-21)31-11-9-29(18-32)10-12-31/h1-8,13,17-18,22H,9-12,14-16H2/t22-,25-/m1/s1
InChIKey JPLSDQWUYZMAGT-RCZVLFRGSA-N
Literature Reference Author D.R.CHAPMAN,L.BAUER,D.P.WALLER,L.J.D.ZANEVELD
Literature Reference Citation J.HETCYCL.CHEM.,27,2063(1990)
Literature Reference DOI 10.1002/jhet.5570270739
Molecular Weight 517.412 g/mol
Solvent Unknown
Source File Reference UWCP3014