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(+/-)-CIS-3-(4-ACETYL-1-PIPERAZINYL)-6-{[2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL-METHYL)-1,3-DIOXOLAN-4-YL]-METHOXY}-BENZO-[B]-THIOPHENE
SpectraBase Compound ID FP3WHBCUwhM
InChI InChI=1S/C28H28Cl2N4O4S/c1-19(35)33-8-10-34(11-9-33)26-16-39-27-13-21(3-4-23(26)27)36-14-22-15-37-28(38-22,17-32-7-6-31-18-32)24-5-2-20(29)12-25(24)30/h2-7,12-13,16,18,22H,8-11,14-15,17H2,1H3/t22-,28-/m0/s1
InChIKey OYPDOMQCSYHDMR-DWACAAAGSA-N
Mol Weight 587.52 g/mol
Molecular Formula C28H28Cl2N4O4S
Exact Mass 586.120832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26jowS5z3Ul
Name (+/-)-CIS-3-(4-ACETYL-1-PIPERAZINYL)-6-{[2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL-METHYL)-1,3-DIOXOLAN-4-YL]-METHOXY}-BENZO-[B]-THIOPHENE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28Cl2N4O4S
InChI InChI=1S/C28H28Cl2N4O4S/c1-19(35)33-8-10-34(11-9-33)26-16-39-27-13-21(3-4-23(26)27)36-14-22-15-37-28(38-22,17-32-7-6-31-18-32)24-5-2-20(29)12-25(24)30/h2-7,12-13,16,18,22H,8-11,14-15,17H2,1H3/t22-,28-/m0/s1
InChIKey OYPDOMQCSYHDMR-DWACAAAGSA-N
Literature Reference Author J.BOLOS,S.GUBERT,L.ANGLADA,A.SACRISTAN,J.A.ORTIZ
Literature Reference Citation J.HETCYCL.CHEM.,34,1709(1997)
Literature Reference DOI 10.1002/jhet.5570340611
Molecular Weight 587.521 g/mol
Solvent CDCl3
Source File Reference UWSW501