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5-ENDO-(HYDROXYMETHYL)-4-(4''-METHYLBENZENESULFENYL)-2-(4'-METHYLBENZENESULFONYL)-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE
SpectraBase Compound ID BrMTvXrSowO
InChI InChI=1S/C22H23NO4S2/c1-15-3-7-19(8-4-15)28-22-12-11-18(13-17(22)14-24)23(21(22)25)29(26,27)20-9-5-16(2)6-10-20/h3-12,17-18,24H,13-14H2,1-2H3/t17-,18+,22+/m1/s1
InChIKey TVQRVOWERPLWBE-FGSXEWAUSA-N
Mol Weight 429.55 g/mol
Molecular Formula C22H23NO4S2
Exact Mass 429.106851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GacQLeL4kPW
Name 5-ENDO-(HYDROXYMETHYL)-4-(4''-METHYLBENZENESULFENYL)-2-(4'-METHYLBENZENESULFONYL)-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23NO4S2
InChI InChI=1S/C22H23NO4S2/c1-15-3-7-19(8-4-15)28-22-12-11-18(13-17(22)14-24)23(21(22)25)29(26,27)20-9-5-16(2)6-10-20/h3-12,17-18,24H,13-14H2,1-2H3/t17-,18+,22+/m1/s1
InChIKey TVQRVOWERPLWBE-FGSXEWAUSA-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 429.549 g/mol
Solvent CDCl3
Source File Reference UWCS3841