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4-[1-ETHYLTHIO-1-(1-PHENYLSULFONYL-INDOLYL)-METHYL]-1-METHYL-4-PIPERIDINOL
SpectraBase Compound ID 5EjDDxfCCfk
InChI InChI=1S/C23H28N2O3S2/c1-3-29-22(23(26)13-15-24(2)16-14-23)21-17-18-9-7-8-12-20(18)25(21)30(27,28)19-10-5-4-6-11-19/h4-12,17,22,26H,3,13-16H2,1-2H3
InChIKey YJMGOLKLPKJCSN-UHFFFAOYSA-N
Mol Weight 444.61 g/mol
Molecular Formula C23H28N2O3S2
Exact Mass 444.154135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICw7QibY2XX
Name 4-[1-ETHYLTHIO-1-(1-PHENYLSULFONYL-INDOLYL)-METHYL]-1-METHYL-4-PIPERIDINOL
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28N2O3S2
InChI InChI=1S/C23H28N2O3S2/c1-3-29-22(23(26)13-15-24(2)16-14-23)21-17-18-9-7-8-12-20(18)25(21)30(27,28)19-10-5-4-6-11-19/h4-12,17,22,26H,3,13-16H2,1-2H3
InChIKey YJMGOLKLPKJCSN-UHFFFAOYSA-N
Literature Reference Author M.RUBIRALTA,A.DIEZ,I.REIG,J.CASTELLS,J.L.BETTIOL,D.S.GRIERSO N,H.P.HUSSON
Literature Reference Citation HETEROCYCLES,31,173(1990)
Literature Reference DOI 10.3987/COM-89-5240
Molecular Weight 444.607 g/mol
Solvent CDCl3
Source File Reference UWMZ794