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#9I;1-[1-[[1-[(4-METHYLPIPERAZIN-1-YL)-METHYL]-6-NITRO-1H-BENZO-[D]-IMIDAZOL-2-YL]-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHENO-[5,6-C]-PYRAZOL-6-YL]-
SpectraBase Compound ID 2PMFzze0Gcj
InChI InChI=1S/C27H32N9O6P/c1-19-3-5-21(6-4-19)29-27(37)31-43(40)41-16-20-14-28-35(25(20)17-42-43)15-26-30-23-8-7-22(36(38)39)13-24(23)34(26)18-33-11-9-32(2)10-12-33/h3-8,13-14H,9-12,15-18H2,1-2H3,(H2,29,31,37,40)
InChIKey KCYNQZCYKKJXRX-UHFFFAOYSA-N
Mol Weight 609.6 g/mol
Molecular Formula C27H32N9O6P
Exact Mass 609.221317 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49V1dDeh2YC
Name #9I;1-[1-[[1-[(4-METHYLPIPERAZIN-1-YL)-METHYL]-6-NITRO-1H-BENZO-[D]-IMIDAZOL-2-YL]-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHENO-[5,6-C]-PYRAZOL-6-YL]-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N9O6P
InChI InChI=1S/C27H32N9O6P/c1-19-3-5-21(6-4-19)29-27(37)31-43(40)41-16-20-14-28-35(25(20)17-42-43)15-26-30-23-8-7-22(36(38)39)13-24(23)34(26)18-33-11-9-32(2)10-12-33/h3-8,13-14H,9-12,15-18H2,1-2H3,(H2,29,31,37,40)
InChIKey KCYNQZCYKKJXRX-UHFFFAOYSA-N
Literature Reference Author C.H.L.PRAVEENA,V.E.RANI,Y.N.SPOORTHY,L.K.RAVINDRANATH
Literature Reference Citation J.CHEM.PHARM.RES.,5,5,280(2013)
Solvent DMSO-D6
Source File Reference UWBT13753