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1-[4-[3-(4-CHLOROPHENOXY)-BENZYL]-PIPERAZIN-1-YL]-3-(4-METHOXYPHENYLSULFANYL)-PROPAN-1-ONE
SpectraBase Compound ID JUL16Nf8jUh
InChI InChI=1S/C27H29ClN2O3S/c1-32-23-9-11-26(12-10-23)34-18-13-27(31)30-16-14-29(15-17-30)20-21-3-2-4-25(19-21)33-24-7-5-22(28)6-8-24/h2-12,19H,13-18,20H2,1H3
InChIKey YPOCUGJOZSQYQF-UHFFFAOYSA-N
Mol Weight 497.05 g/mol
Molecular Formula C27H29ClN2O3S
Exact Mass 496.158742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIaGGN5EJLk
Name 1-[4-[3-(4-CHLOROPHENOXY)-BENZYL]-PIPERAZIN-1-YL]-3-(4-METHOXYPHENYLSULFANYL)-PROPAN-1-ONE
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29ClN2O3S
InChI InChI=1S/C27H29ClN2O3S/c1-32-23-9-11-26(12-10-23)34-18-13-27(31)30-16-14-29(15-17-30)20-21-3-2-4-25(19-21)33-24-7-5-22(28)6-8-24/h2-12,19H,13-18,20H2,1H3
InChIKey YPOCUGJOZSQYQF-UHFFFAOYSA-N
Literature Reference Author R.POULAIN,D.HORVATH,B.BONNET,C.ECKHOFF,B.CHAPELAIN,M.C.BODIN IER,B.DEPREZ
Literature Reference Citation J.MED.CHEM.,44,3391(2001)
Literature Reference DOI 10.1021/jm010878g
Molecular Weight 497.052 g/mol
Sample ID 45109
Solvent DMSO-D6