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[E,1S,6R,8R,10R,R(S)]-4-(2,2-DIMETHOXYETHYLIDENE)-13,13-DIMETHYL-6-(4-NITROPHENYL)-7-OXA-3-THIATRICYCLO-[8.2.1.0(1,8)]-TRIDECANE-3-OXIDE

View entire compound with spectra: 1 NMR

[E,1S,6R,8R,10R,R(S)]-4-(2,2-DIMETHOXYETHYLIDENE)-13,13-DIMETHYL-6-(4-NITROPHENYL)-7-OXA-3-THIATRICYCLO-[8.2.1.0(1,8)]-TRIDECANE-3-OXIDE
SpectraBase Compound ID UXKerRYXwN
InChI InChI=1S/C23H31NO6S/c1-22(2)16-9-10-23(22)14-31(27)18(13-21(28-3)29-4)12-19(30-20(23)11-16)15-5-7-17(8-6-15)24(25)26/h5-8,13,16,19-21H,9-12,14H2,1-4H3/b18-13+/t16-,19?,20?,23-,31?/m0/s1
InChIKey YTRAITUESIHTIJ-XOXKMXQTSA-N
Mol Weight 449.56 g/mol
Molecular Formula C23H31NO6S
Exact Mass 449.187209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ULJbtkSmwX
Name [E,1S,6R,8R,10R,R(S)]-4-(2,2-DIMETHOXYETHYLIDENE)-13,13-DIMETHYL-6-(4-NITROPHENYL)-7-OXA-3-THIATRICYCLO-[8.2.1.0(1,8)]-TRIDECANE-3-OXIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO6S
InChI InChI=1S/C23H31NO6S/c1-22(2)16-9-10-23(22)14-31(27)18(13-21(28-3)29-4)12-19(30-20(23)11-16)15-5-7-17(8-6-15)24(25)26/h5-8,13,16,19-21H,9-12,14H2,1-4H3/b18-13+/t16-,19?,20?,23-,31?/m0/s1
InChIKey YTRAITUESIHTIJ-XOXKMXQTSA-N
Literature Reference Author M.C.AVERSA,A.BARRATTUCCI,P.BONACCORSI,G.BRUNO,P.GIANNETTO,F. NICOLO
Literature Reference Citation J.CHEM.SOC.PERKIN-2,273(1997)
Literature Reference DOI 10.1039/a604910i
Molecular Weight 449.562 g/mol
Solvent CDCl3