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4-METHYL-N-1-[-[(4-METHYLPIPERAZIN-1-YL)-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHEPINO-[5,6-C]-PYRAZOL-6-YL]-PIPERAZINE-1-CARBOXAMIDE

View entire compound with spectra: 2 NMR

4-METHYL-N-1-[-[(4-METHYLPIPERAZIN-1-YL)-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHEPINO-[5,6-C]-PYRAZOL-6-YL]-PIPERAZINE-1-CARBOXAMIDE
SpectraBase Compound ID KI0tV2ZrI4u
InChI InChI=1S/C25H35N10O6P/c1-29-5-9-31(10-6-29)18-33-22-13-20(35(37)38)3-4-21(22)27-24(33)15-34-23-17-41-42(39,40-16-19(23)14-26-34)28-25(36)32-11-7-30(2)8-12-32/h3-4,13-14H,5-12,15-18H2,1-2H3,(H,28,36,39)
InChIKey YAZHCWYDZFEARD-UHFFFAOYSA-N
Mol Weight 602.6 g/mol
Molecular Formula C25H35N10O6P
Exact Mass 602.247866 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAYE3kk1N1b
Name 4-METHYL-N-1-[-[(4-METHYLPIPERAZIN-1-YL)-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHEPINO-[5,6-C]-PYRAZOL-6-YL]-PIPERAZINE-1-CARBOXAMIDE
Compound Number 9M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H35N10O6P
InChI InChI=1S/C25H35N10O6P/c1-29-5-9-31(10-6-29)18-33-22-13-20(35(37)38)3-4-21(22)27-24(33)15-34-23-17-41-42(39,40-16-19(23)14-26-34)28-25(36)32-11-7-30(2)8-12-32/h3-4,13-14H,5-12,15-18H2,1-2H3,(H,28,36,39)
InChIKey YAZHCWYDZFEARD-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 UWBT13757