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4-ACETYL-2,6-DIBENZOYL-3,5-DIPHENYL-4-ETHOXYCARBONYLTHIANE-1,1-DIOXIDE;MINOR_ISOMER

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4-ACETYL-2,6-DIBENZOYL-3,5-DIPHENYL-4-ETHOXYCARBONYLTHIANE-1,1-DIOXIDE;MINOR_ISOMER
SpectraBase Compound ID BihLlOmnCEy
InChI InChI=1S/C36H32O7S/c1-3-43-35(40)36(24(2)37)29(25-16-8-4-9-17-25)33(31(38)27-20-12-6-13-21-27)44(41,42)34(30(36)26-18-10-5-11-19-26)32(39)28-22-14-7-15-23-28/h4-23,29-30,33-34H,3H2,1-2H3/t29-,30+,33+,34-,36+
InChIKey IXLSYGZCVFLQTN-VVYKKOLUSA-N
Mol Weight 608.7 g/mol
Molecular Formula C36H32O7S
Exact Mass 608.186875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KeZciwtEDNi
Name 4-ACETYL-2,6-DIBENZOYL-3,5-DIPHENYL-4-ETHOXYCARBONYLTHIANE-1,1-DIOXIDE;MINOR_ISOMER
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H32O7S
InChI InChI=1S/C36H32O7S/c1-3-43-35(40)36(24(2)37)29(25-16-8-4-9-17-25)33(31(38)27-20-12-6-13-21-27)44(41,42)34(30(36)26-18-10-5-11-19-26)32(39)28-22-14-7-15-23-28/h4-23,29-30,33-34H,3H2,1-2H3/t29-,30+,33+,34-,36+
InChIKey IXLSYGZCVFLQTN-VVYKKOLUSA-N
Literature Reference Author S.RENUGA,S.SELVARAJ,S.PERUMAL,A.LYCKA,M.GNANADEEBAM
Literature Reference Citation MAGN.RES.CHEM.,39,651(2001)
Literature Reference DOI 10.1002/mrc.897
Molecular Weight 608.706 g/mol
Solvent CDCl3
Source File Reference UWMZ22194