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DIETHYL-2-[(1S,2S/R,5S)-6-TOSYL-3-THIA-6-AZABICYCLO-[3.2.1]-OCT-2-YL]-MALONATE;MAJOR-ISOMER

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DIETHYL-2-[(1S,2S/R,5S)-6-TOSYL-3-THIA-6-AZABICYCLO-[3.2.1]-OCT-2-YL]-MALONATE;MAJOR-ISOMER
SpectraBase Compound ID K5CgIOegyz6
InChI InChI=1S/2C20H27NO6S2/c2*1-4-26-19(22)17(20(23)27-5-2)18-14-10-15(12-28-18)21(11-14)29(24,25)16-8-6-13(3)7-9-16/h2*6-9,14-15,17-18H,4-5,10-12H2,1-3H3/t2*14-,15-,18+/m00/s1
InChIKey OHYHEOFOVIGNDT-MLGWWAEGSA-N
Mol Weight 883.11 g/mol
Molecular Formula C40H54N2O12S4
Exact Mass 882.25596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRs5htwX447
Name DIETHYL-2-[(1S,2S/R,5S)-6-TOSYL-3-THIA-6-AZABICYCLO-[3.2.1]-OCT-2-YL]-MALONATE;MINOR-ISOMER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54N2O12S4
InChI InChI=1S/2C20H27NO6S2/c2*1-4-26-19(22)17(20(23)27-5-2)18-14-10-15(12-28-18)21(11-14)29(24,25)16-8-6-13(3)7-9-16/h2*6-9,14-15,17-18H,4-5,10-12H2,1-3H3/t2*14-,15-,18+/m00/s1
InChIKey OHYHEOFOVIGNDT-MLGWWAEGSA-N
Literature Reference Author E.E.KORSHIN,Y.V.BILOKIN,H.ZHENG,M.D.BACHI
Literature Reference Citation J.AM.CHEM.SOC.,126,2708(2004)
Literature Reference DOI 10.1021/ja031766c
Molecular Weight 883.115 g/mol
Solvent CDCl3
Source File Reference UWVN32420