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(E,1S,6R,8R,10R,Rs)-13,13-Dimethyl-4-(formylmethylidene)-6-(4-nitrophenyl)-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridecane 3-oxide

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(E,1S,6R,8R,10R,Rs)-13,13-Dimethyl-4-(formylmethylidene)-6-(4-nitrophenyl)-7-oxa-3-thiatricyclo[8.2.1.0(1,8)]tridecane 3-oxide
SpectraBase Compound ID BUjVv1xthIq
InChI InChI=1S/C21H25NO5S/c1-20(2)15-7-9-21(20)13-28(26)17(8-10-23)12-18(27-19(21)11-15)14-3-5-16(6-4-14)22(24)25/h3-6,8,10,15,18-19H,7,9,11-13H2,1-2H3/b17-8+/t15-,18?,19?,21-,28?/m0/s1
InChIKey BZSHUUOEDQEQSA-VIPOGZTISA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJytlPeL5Kt
Name [E,1S,6R,8R,10R,R(S)]-13,13-DIMETHYL-4-(FORMYLMETHYLIDENE)-6-(4-NITROPHENYL)-7-OXA-3-THIATRICYCLO-[8.2.1.0(1,8)]-TRIDECANE-3-OXIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-20(2)15-7-9-21(20)13-28(26)17(8-10-23)12-18(27-19(21)11-15)14-3-5-16(6-4-14)22(24)25/h3-6,8,10,15,18-19H,7,9,11-13H2,1-2H3/b17-8+/t15-,18?,19?,21-,28?/m0/s1
InChIKey BZSHUUOEDQEQSA-VIPOGZTISA-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 403.493 g/mol
Solvent CDCl3