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4-ACETYL-2,6-DI-(PARA-CHLOROBENZOYL)-3,5-DI-(PARA-CHLOROPHENYL)-4-ETHOXYCARBONYLTHIANE-1,1-DIOXIDE;MAJOR_ISOMER
SpectraBase Compound ID 51NvnXCI4va
InChI InChI=1S/C36H28Cl4O7S/c1-3-47-35(44)36(20(2)41)29(21-4-12-25(37)13-5-21)33(31(42)23-8-16-27(39)17-9-23)48(45,46)34(30(36)22-6-14-26(38)15-7-22)32(43)24-10-18-28(40)19-11-24/h4-19,29-30,33-34H,3H2,1-2H3/t29-,30+,33+,34-,36-
InChIKey JMXXHGXKIOPNLK-JWFJODBFSA-N
Mol Weight 746.5 g/mol
Molecular Formula C36H28Cl4O7S
Exact Mass 744.030985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFk1Lpq51ct
Name 4-ACETYL-2,6-DI-(PARA-CHLOROBENZOYL)-3,5-DI-(PARA-CHLOROPHENYL)-4-ETHOXYCARBONYLTHIANE-1,1-DIOXIDE;MAJOR_ISOMER
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28Cl4O7S
InChI InChI=1S/C36H28Cl4O7S/c1-3-47-35(44)36(20(2)41)29(21-4-12-25(37)13-5-21)33(31(42)23-8-16-27(39)17-9-23)48(45,46)34(30(36)22-6-14-26(38)15-7-22)32(43)24-10-18-28(40)19-11-24/h4-19,29-30,33-34H,3H2,1-2H3/t29-,30+,33+,34-,36-
InChIKey JMXXHGXKIOPNLK-JWFJODBFSA-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 746.486 g/mol
Solvent CDCl3
Source File Reference UWMZ22197