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7-[2-[1-(4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL)-2-OXOPROPYLIDENE]-HYDRAZINYL]-4-METHYL-2H-CHROMEN-2-ONE
SpectraBase Compound ID 5BeD2n0eUEn
InChI InChI=1S/C29H31N7O5/c1-4-25-30-28(36(39)40)29(35(25)18-21-8-6-5-7-9-21)34-14-12-33(13-15-34)27(20(3)37)32-31-22-10-11-23-19(2)16-26(38)41-24(23)17-22/h5-11,16-17,31H,4,12-15,18H2,1-3H3/b32-27-
InChIKey UHUUSPUGNZSPMZ-MXNGAVTRSA-N
Mol Weight 557.61 g/mol
Molecular Formula C29H31N7O5
Exact Mass 557.238667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6puBZcFaaY
Name 7-[2-[1-(4-(1-BENZYL-2-ETHYL-4-NITRO-1H-IMIDAZOL-5-YL)-PIPERAZIN-1-YL)-2-OXOPROPYLIDENE]-HYDRAZINYL]-4-METHYL-2H-CHROMEN-2-ONE
Compound Number 3N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31N7O5
InChI InChI=1S/C29H31N7O5/c1-4-25-30-28(36(39)40)29(35(25)18-21-8-6-5-7-9-21)34-14-12-33(13-15-34)27(20(3)37)32-31-22-10-11-23-19(2)16-26(38)41-24(23)17-22/h5-11,16-17,31H,4,12-15,18H2,1-3H3/b32-27-
InChIKey UHUUSPUGNZSPMZ-MXNGAVTRSA-N
Literature Reference Author M.S.MUSTAFA,M.M.EL-ABADELAH,M.A.ZIHLIF,R.G.NAFFA,M.S.MUBARAK
Literature Reference Citation MOLECULES,16,4305(2011)
Literature Reference DOI 10.3390/molecules16054305
Molecular Weight 557.609 g/mol
Sample ID 155
Solvent CDCl3