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#9G;1-(4-CHLOROPHENYL)-3-[1-[(6-NITRO-1-(PIPERIDINE-1-YL-METHYL)-1H-BENZO-[D]-IMIDAZOL-2-YL]-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHENO-[5,6-C]-PYRA
SpectraBase Compound ID 50tpzerNVu1
InChI InChI=1S/C26H28ClN8O6P/c27-19-4-6-20(7-5-19)29-26(36)31-42(39)40-15-18-13-28-34(24(18)16-41-42)14-25-30-22-9-8-21(35(37)38)12-23(22)33(25)17-32-10-2-1-3-11-32/h4-9,12-13H,1-3,10-11,14-17H2,(H2,29,31,36,39)
InChIKey PXPAWRGRJCPTBG-UHFFFAOYSA-N
Mol Weight 614.99 g/mol
Molecular Formula C26H28ClN8O6P
Exact Mass 614.155795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJVGPuRXx5E
Name #9G;1-(4-CHLOROPHENYL)-3-[1-[(6-NITRO-1-(PIPERIDINE-1-YL-METHYL)-1H-BENZO-[D]-IMIDAZOL-2-YL]-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHENO-[5,6-C]-PYRA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28ClN8O6P
InChI InChI=1S/C26H28ClN8O6P/c27-19-4-6-20(7-5-19)29-26(36)31-42(39)40-15-18-13-28-34(24(18)16-41-42)14-25-30-22-9-8-21(35(37)38)12-23(22)33(25)17-32-10-2-1-3-11-32/h4-9,12-13H,1-3,10-11,14-17H2,(H2,29,31,36,39)
InChIKey PXPAWRGRJCPTBG-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)
Molecular Weight 614.985 g/mol
Solvent DMSO-D6
Source File Reference UWBT13751