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1-METHANESULFONYL-4-{4-[[TRANS-2-(2,4-DICHLOROPHENYL)-2-[(1H-IMIDAZOL-1-YL)-METHYL]-1,3-DIOXALAN-4-YL]-METHYLENEOXY]-PHENYL}-PIPERAZINE

View entire compound with spectra: 1 NMR

1-METHANESULFONYL-4-{4-[[TRANS-2-(2,4-DICHLOROPHENYL)-2-[(1H-IMIDAZOL-1-YL)-METHYL]-1,3-DIOXALAN-4-YL]-METHYLENEOXY]-PHENYL}-PIPERAZINE
SpectraBase Compound ID 3Arc0wDy4QH
InChI InChI=1S/C25H28Cl2N4O5S/c1-37(32,33)31-12-10-30(11-13-31)20-3-5-21(6-4-20)34-15-22-16-35-25(36-22,17-29-9-8-28-18-29)23-7-2-19(26)14-24(23)27/h2-9,14,18,22H,10-13,15-17H2,1H3/t22-,25+/m0/s1
InChIKey DJXJWGKDHLYIKQ-WIOPSUGQSA-N
Mol Weight 567.49 g/mol
Molecular Formula C25H28Cl2N4O5S
Exact Mass 566.115747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uqgSqbEGXs
Name 1-METHANESULFONYL-4-{4-[[TRANS-2-(2,4-DICHLOROPHENYL)-2-[(1H-IMIDAZOL-1-YL)-METHYL]-1,3-DIOXALAN-4-YL]-METHYLENEOXY]-PHENYL}-PIPERAZINE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28Cl2N4O5S
InChI InChI=1S/C25H28Cl2N4O5S/c1-37(32,33)31-12-10-30(11-13-31)20-3-5-21(6-4-20)34-15-22-16-35-25(36-22,17-29-9-8-28-18-29)23-7-2-19(26)14-24(23)27/h2-9,14,18,22H,10-13,15-17H2,1H3/t22-,25+/m0/s1
InChIKey DJXJWGKDHLYIKQ-WIOPSUGQSA-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 567.487 g/mol
Solvent Unknown
Source File Reference UWCP3009