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5-PARA-NITROPHENYL-10-(2-PYRIDYL)-3,4,5,10-TETRAAZATRICYCLO-[5.5.1.0-(2.6-EXO).0-(8.12-ENDO)]-TRIDEC-3-ENE-9,11-DIONE
SpectraBase Compound ID DoFVMaJyAuK
InChI InChI=1S/C20H16N6O4/c27-19-15-12-9-13(16(15)20(28)24(19)14-3-1-2-8-21-14)18-17(12)22-23-25(18)10-4-6-11(7-5-10)26(29)30/h1-8,12-13,15-18H,9H2/t12-,13+,15-,16+,17-,18+/m1/s1
InChIKey SNGVWHYIONCKQS-RVGSUECLSA-N
Mol Weight 404.39 g/mol
Molecular Formula C20H16N6O4
Exact Mass 404.123303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KfDBs2zBdzw
Name 5-PARA-NITROPHENYL-10-(2-PYRIDYL)-3,4,5,10-TETRAAZATRICYCLO-[5.5.1.0-(2.6-EXO).0-(8.12-ENDO)]-TRIDEC-3-ENE-9,11-DIONE
Compound Number IV-F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16N6O4
InChI InChI=1S/C20H16N6O4/c27-19-15-12-9-13(16(15)20(28)24(19)14-3-1-2-8-21-14)18-17(12)22-23-25(18)10-4-6-11(7-5-10)26(29)30/h1-8,12-13,15-18H,9H2/t12-,13+,15-,16+,17-,18+/m1/s1
InChIKey SNGVWHYIONCKQS-RVGSUECLSA-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 404.385 g/mol
Solvent DMSO-D6_OR_CDCl3
Source File Reference UWMZ16533