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3-ETHYL-1-METHOXYCARBONYL-4-{2-[1-(4-METHOXYPHENYLSULFONYL)-2-INDOLYL]-1,3-DITHIAN-2-YL}-3-PIPERIDINOL
SpectraBase Compound ID 5GP9Ebxozu
InChI InChI=1S/C28H34N2O6S3/c1-4-27(32)19-29(26(31)36-3)15-14-24(27)28(37-16-7-17-38-28)25-18-20-8-5-6-9-23(20)30(25)39(33,34)22-12-10-21(35-2)11-13-22/h5-6,8-13,18,24,32H,4,7,14-17,19H2,1-3H3/t24-,27-/m1/s1
InChIKey URTHTTBDFCBSIL-SHQCIBLASA-N
Mol Weight 590.8 g/mol
Molecular Formula C28H34N2O6S3
Exact Mass 590.1579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67BQNJ1qRTB
Name 3-ETHYL-1-METHOXYCARBONYL-4-{2-[1-(4-METHOXYPHENYLSULFONYL)-2-INDOLYL]-1,3-DITHIAN-2-YL}-3-PIPERIDINOL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34N2O6S3
InChI InChI=1S/C28H34N2O6S3/c1-4-27(32)19-29(26(31)36-3)15-14-24(27)28(37-16-7-17-38-28)25-18-20-8-5-6-9-23(20)30(25)39(33,34)22-12-10-21(35-2)11-13-22/h5-6,8-13,18,24,32H,4,7,14-17,19H2,1-3H3/t24-,27-/m1/s1
InChIKey URTHTTBDFCBSIL-SHQCIBLASA-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 590.768 g/mol
Solvent CDCl3
Source File Reference UWMZ785