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2,6-DI-(PARA-METHOXYPHENYL)-3-(PARA-CHLOROPHENYLTHIO)-PIPERIDIN-4-ONE
SpectraBase Compound ID 4ulJ013ARyI
InChI InChI=1S/2C25H24ClNO3S/c2*1-29-19-9-3-16(4-10-19)22-15-23(28)25(31-21-13-7-18(26)8-14-21)24(27-22)17-5-11-20(30-2)12-6-17/h2*3-14,22,24-25,27H,15H2,1-2H3
InChIKey TUBGKWPVVGVONO-UHFFFAOYSA-N
Mol Weight 907.97 g/mol
Molecular Formula C50H48Cl2N2O6S2
Exact Mass 906.233085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjJwW8IJrFj
Name 2,6-DI-(PARA-METHOXYPHENYL)-3-(PARA-CHLOROPHENYLTHIO)-PIPERIDIN-4-ONE
Compound Number 1I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H48Cl2N2O6S2
InChI InChI=1S/2C25H24ClNO3S/c2*1-29-19-9-3-16(4-10-19)22-15-23(28)25(31-21-13-7-18(26)8-14-21)24(27-22)17-5-11-20(30-2)12-6-17/h2*3-14,22,24-25,27H,15H2,1-2H3
InChIKey TUBGKWPVVGVONO-UHFFFAOYSA-N
Literature Reference Author M.SRINIVASAN,S.PERUMAL,S.SELVARAJ
Literature Reference Citation CHEM.PHARM.BULL.,54,795(2006)
Literature Reference DOI 10.1248/cpb.54.795
Molecular Weight 907.967 g/mol
Sample ID 54919
Solvent CDCl3