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2,6-DI-(PARA-METHOXYPHENYL)-3-(PHENYLTHIO)-PIPERIDIN-4-ONE
SpectraBase Compound ID 5lkYvKGEoxP
InChI InChI=1S/2C25H25NO3S/c2*1-28-19-12-8-17(9-13-19)22-16-23(27)25(30-21-6-4-3-5-7-21)24(26-22)18-10-14-20(29-2)15-11-18/h2*3-15,22,24-26H,16H2,1-2H3
InChIKey MEFDBQRENSTBOA-UHFFFAOYSA-N
Mol Weight 839.08 g/mol
Molecular Formula C50H50N2O6S2
Exact Mass 838.31103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOUCqHjdIXM
Name 2,6-DI-(PARA-METHOXYPHENYL)-3-(PHENYLTHIO)-PIPERIDIN-4-ONE
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H50N2O6S2
InChI InChI=1S/2C25H25NO3S/c2*1-28-19-12-8-17(9-13-19)22-16-23(27)25(30-21-6-4-3-5-7-21)24(26-22)18-10-14-20(29-2)15-11-18/h2*3-15,22,24-26H,16H2,1-2H3
InChIKey MEFDBQRENSTBOA-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 839.077 g/mol
Sample ID 54914
Solvent CDCl3