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2-[2-(1-METHYL-1,2,5,6-TETRAHYDRO-3-PYRIDYLMETHYL)-1,3-DITHIAN-2-YL]-1-(4-METHOXYPHENYLSULFONYL)-INDOLE
SpectraBase Compound ID C54hkrESlcf
InChI InChI=1S/C26H30N2O3S3/c1-27-14-5-7-20(19-27)18-26(32-15-6-16-33-26)25-17-21-8-3-4-9-24(21)28(25)34(29,30)23-12-10-22(31-2)11-13-23/h3-4,7-13,17H,5-6,14-16,18-19H2,1-2H3
InChIKey BSFRIICBGFMKTI-UHFFFAOYSA-N
Mol Weight 514.72 g/mol
Molecular Formula C26H30N2O3S3
Exact Mass 514.141856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJLEQeZw8KF
Name 2-[2-(1-METHYL-1,2,5,6-TETRAHYDRO-3-PYRIDYLMETHYL)-1,3-DITHIAN-2-YL]-1-(4-METHOXYPHENYLSULFONYL)-INDOLE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30N2O3S3
InChI InChI=1S/C26H30N2O3S3/c1-27-14-5-7-20(19-27)18-26(32-15-6-16-33-26)25-17-21-8-3-4-9-24(21)28(25)34(29,30)23-12-10-22(31-2)11-13-23/h3-4,7-13,17H,5-6,14-16,18-19H2,1-2H3
InChIKey BSFRIICBGFMKTI-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 514.716 g/mol
Solvent CDCl3
Source File Reference UWMZ786