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4-Methoxy-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]oct-7-ene
SpectraBase Compound ID D59J5SWFHRy
InChI InChI=1S/C15H16N2O6S/c1-10-3-5-12(6-4-10)24(21,22)16-11-7-8-15(23-2,14(16)18)13(9-11)17(19)20/h3-8,11,13H,9H2,1-2H3/t11-,13+,15-/m0/s1
InChIKey UQILCDAWOAXVLG-LNSITVRQSA-N
Mol Weight 352.36 g/mol
Molecular Formula C15H16N2O6S
Exact Mass 352.072907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKNsG0bFTew
Name 4-METHOXY-2-(4'-METHYLBENZENESULFONYL)-5-EXO-NITRO-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE
CAS Registry Number 141725-48-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16N2O6S
InChI InChI=1S/C15H16N2O6S/c1-10-3-5-12(6-4-10)24(21,22)16-11-7-8-15(23-2,14(16)18)13(9-11)17(19)20/h3-8,11,13H,9H2,1-2H3/t11-,13+,15-/m0/s1
InChIKey UQILCDAWOAXVLG-LNSITVRQSA-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 352.362 g/mol
Solvent CDCl3
Source File Reference UWCS3838