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2,6-DI-(PARA-METHYLPHENYL)-3-(PARA-METHYLPHENYLTHIO)-PIPERIDIN-4-ONE
SpectraBase Compound ID IZwgKrkqLhZ
InChI InChI=1S/C26H27NOS/c1-17-4-10-20(11-5-17)23-16-24(28)26(29-22-14-8-19(3)9-15-22)25(27-23)21-12-6-18(2)7-13-21/h4-15,23,25-27H,16H2,1-3H3
InChIKey YQVRIUWEPJCMIJ-UHFFFAOYSA-N
Mol Weight 401.57 g/mol
Molecular Formula C26H27NOS
Exact Mass 401.181336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQrzL2CxZ8q
Name 2,6-DI-(PARA-METHYLPHENYL)-3-(PARA-METHYLPHENYLTHIO)-PIPERIDIN-4-ONE
Compound Number 1N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H27NOS
InChI InChI=1S/C26H27NOS/c1-17-4-10-20(11-5-17)23-16-24(28)26(29-22-14-8-19(3)9-15-22)25(27-23)21-12-6-18(2)7-13-21/h4-15,23,25-27H,16H2,1-3H3
InChIKey YQVRIUWEPJCMIJ-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 401.566 g/mol
Sample ID 54924
Solvent CDCl3