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5-METHYL-4-(4''-METHYLBENZENESULFENYL)-2-(4'-METHYLBENZENESULFONYL)-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE-2-CARBOXALDEHYDE

View entire compound with spectra: 1 NMR

5-METHYL-4-(4''-METHYLBENZENESULFENYL)-2-(4'-METHYLBENZENESULFONYL)-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE-2-CARBOXALDEHYDE
SpectraBase Compound ID 8Bm0jBIaFuU
InChI InChI=1S/C23H23NO4S2/c1-16-4-8-19(9-5-16)29-23-13-12-18(14-22(23,3)15-25)24(21(23)26)30(27,28)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3/t18-,22-,23+/m0/s1
InChIKey RSNRWYFSGLQEEP-OFAXGOBFSA-N
Mol Weight 441.56 g/mol
Molecular Formula C23H23NO4S2
Exact Mass 441.106851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4I6whthDCuX
Name 5-METHYL-4-(4''-METHYLBENZENESULFENYL)-2-(4'-METHYLBENZENESULFONYL)-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE-2-CARBOXALDEHYDE
CAS Registry Number 141667-48-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23NO4S2
InChI InChI=1S/C23H23NO4S2/c1-16-4-8-19(9-5-16)29-23-13-12-18(14-22(23,3)15-25)24(21(23)26)30(27,28)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3/t18-,22-,23+/m0/s1
InChIKey RSNRWYFSGLQEEP-OFAXGOBFSA-N
Literature Reference Author G.H.POSNER,V.VINADER,K.AFARINKIA
Literature Reference Citation J.ORG.CHEM.,57,4088(1992)
Literature Reference DOI 10.1021/jo00041a010
Molecular Weight 441.560 g/mol
Solvent CDCl3
Source File Reference UWCS3837