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#9H;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 8HhfEcrvKlu
InChI InChI=1S/C26H30N9O6P/c1-31-9-11-32(12-10-31)18-33-23-13-21(35(37)38)7-8-22(23)29-25(33)15-34-24-17-41-42(39,40-16-19(24)14-27-34)30-26(36)28-20-5-3-2-4-6-20/h2-8,13-14H,9-12,15-18H2,1H3,(H2,28,30,36,39)
InChIKey KMNVSHZIOFNFOA-UHFFFAOYSA-N
Mol Weight 595.56 g/mol
Molecular Formula C26H30N9O6P
Exact Mass 595.205667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6A5P6C931qU
Name #9H;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 C26H30N9O6P
InChI InChI=1S/C26H30N9O6P/c1-31-9-11-32(12-10-31)18-33-23-13-21(35(37)38)7-8-22(23)29-25(33)15-34-24-17-41-42(39,40-16-19(24)14-27-34)30-26(36)28-20-5-3-2-4-6-20/h2-8,13-14H,9-12,15-18H2,1H3,(H2,28,30,36,39)
InChIKey KMNVSHZIOFNFOA-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 595.555 g/mol
Solvent DMSO-D6
Source File Reference UWBT13752