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TRANS-2-EQU-(PARA-CHLOROPHENYLTHIOMETHYL)-3-EQU-(3-METHOXYPHENYL)-5-CARBOMETHOXY-N-METHYLPIPERIDINE
SpectraBase Compound ID Ayu1YDP64dX
InChI InChI=1S/C22H26ClNO3S/c1-24-13-16(22(25)27-3)12-20(15-5-4-6-18(11-15)26-2)21(24)14-28-19-9-7-17(23)8-10-19/h4-11,16,20-21H,12-14H2,1-3H3/t16-,20-,21-/m0/s1
InChIKey VYIWGHAVDWCKRB-NDXORKPFSA-N
Mol Weight 419.97 g/mol
Molecular Formula C22H26ClNO3S
Exact Mass 419.132193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5us31FwDf0
Name TRANS-2-EQU-(PARA-CHLOROPHENYLTHIOMETHYL)-3-EQU-(3-METHOXYPHENYL)-5-CARBOMETHOXY-N-METHYLPIPERIDINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26ClNO3S
InChI InChI=1S/C22H26ClNO3S/c1-24-13-16(22(25)27-3)12-20(15-5-4-6-18(11-15)26-2)21(24)14-28-19-9-7-17(23)8-10-19/h4-11,16,20-21H,12-14H2,1-3H3/t16-,20-,21-/m0/s1
InChIKey VYIWGHAVDWCKRB-NDXORKPFSA-N
Literature Reference Author H.K.KOTZAMANI,I.K.STAMOS
Literature Reference Citation MAGN.RES.CHEM.,32,652(1994)
Literature Reference DOI 10.1002/mrc.1260321104
Molecular Weight 419.966 g/mol
Solvent CDCl3
Source File Reference UWGE81