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[E,E,1S,6R,8R,10R,R(S)]-13,13-DIMETHYL-4-[2-(2,4-DINITROPHENYLHYDRAZONE)-ETHYLIDENE]-6-(4-NITROPHENYL)-7-OXA-3-THIATRICYCLO-[8.2.1.0(1,8)]-TRIDECAN

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[E,E,1S,6R,8R,10R,R(S)]-13,13-DIMETHYL-4-[2-(2,4-DINITROPHENYLHYDRAZONE)-ETHYLIDENE]-6-(4-NITROPHENYL)-7-OXA-3-THIATRICYCLO-[8.2.1.0(1,8)]-TRIDECAN
SpectraBase Compound ID EPR8Le9dwCJ
InChI InChI=1S/C27H29N5O8S/c1-26(2)18-9-11-27(26)16-41(39)21(10-12-28-29-22-8-7-20(31(35)36)14-23(22)32(37)38)15-24(40-25(27)13-18)17-3-5-19(6-4-17)30(33)34/h3-8,10,12,14,18,24-25,29H,9,11,13,15-16H2,1-2H3/b21-10+,28-12+/t18-,24?,25?,27-,41?/m0/s1
InChIKey WNOWMPHPDYEGJV-YCUJKPDBSA-N
Mol Weight 583.62 g/mol
Molecular Formula C27H29N5O8S
Exact Mass 583.173684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CsmwC5Sut80
Name [E,E,1S,6R,8R,10R,R(S)]-13,13-DIMETHYL-4-[2-(2,4-DINITROPHENYLHYDRAZONE)-ETHYLIDENE]-6-(4-NITROPHENYL)-7-OXA-3-THIATRICYCLO-[8.2.1.0(1,8)]-TRIDECAN
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29N5O8S
InChI InChI=1S/C27H29N5O8S/c1-26(2)18-9-11-27(26)16-41(39)21(10-12-28-29-22-8-7-20(31(35)36)14-23(22)32(37)38)15-24(40-25(27)13-18)17-3-5-19(6-4-17)30(33)34/h3-8,10,12,14,18,24-25,29H,9,11,13,15-16H2,1-2H3/b21-10+,28-12+/t18-,24?,25?,27-,41?/m0/s1
InChIKey WNOWMPHPDYEGJV-YCUJKPDBSA-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 583.616 g/mol
Solvent CDCl3
Source File Reference UWRU11316