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3-PARA-NITROPHENYLSULFONYL-8-(2-PYRIDYL)-3,8-DIAZATRICYCLO-[5.3.1.0-(2.4-EXO).0-(6.10-ENDO)]-UNDECANE-7,9-DIONE
SpectraBase Compound ID CWVDmibiSFl
InChI InChI=1S/C20H16N4O6S/c25-19-15-12-9-13(16(15)20(26)22(19)14-3-1-2-8-21-14)18-17(12)23(18)31(29,30)11-6-4-10(5-7-11)24(27)28/h1-8,12-13,15-18H,9H2/t12-,13+,15-,16+,17-,18+,23?
InChIKey UXQKKVRXOVIKGA-YKFFRINPSA-N
Mol Weight 440.43 g/mol
Molecular Formula C20H16N4O6S
Exact Mass 440.079055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wwsFYLi1ni
Name 3-PARA-NITROPHENYLSULFONYL-8-(2-PYRIDYL)-3,8-DIAZATRICYCLO-[5.3.1.0-(2.4-EXO).0-(6.10-ENDO)]-UNDECANE-7,9-DIONE
Compound Number V-F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16N4O6S
InChI InChI=1S/C20H16N4O6S/c25-19-15-12-9-13(16(15)20(26)22(19)14-3-1-2-8-21-14)18-17(12)23(18)31(29,30)11-6-4-10(5-7-11)24(27)28/h1-8,12-13,15-18H,9H2/t12-,13+,15-,16+,17-,18+,23?
InChIKey UXQKKVRXOVIKGA-YKFFRINPSA-N
Literature Reference Author I.N.TARABARA,A.O.KASYAN,M.Y.YAROVOI,S.V.SHISHKINA,O.V.SHISHK IN,L.I.KASYAN
Literature Reference Citation RUSS.J.ORG.CHEM.,40,992(2004)
Literature Reference DOI 10.1023/B:RUJO.0000045191.12939.47
Molecular Weight 440.430 g/mol
Solvent DMSO-D6_OR_CDCl3
Source File Reference UWMZ16535