John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4qu2ZNjMRj9 SpectraBase Spectrum ID=2v1CH1i9URw

(accessed ).
#9E;1-[1-[(6-NITRO-(PIPERIDINE-1-YL-METHYL)-1H-BENZO-[D]-IMIDAZOL-2-YL]-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHENO-[5,6-C]-PYRAZOL-6-YL-3-PHENYLUREA
SpectraBase Compound ID 4qu2ZNjMRj9
InChI InChI=1S/C26H29N8O6P/c35-26(28-20-7-3-1-4-8-20)30-41(38)39-16-19-14-27-33(24(19)17-40-41)15-25-29-22-10-9-21(34(36)37)13-23(22)32(25)18-31-11-5-2-6-12-31/h1,3-4,7-10,13-14H,2,5-6,11-12,15-18H2,(H2,28,30,35,38)
InChIKey QIHXRJHQBLEDLS-UHFFFAOYSA-N
Mol Weight 580.54 g/mol
Molecular Formula C26H29N8O6P
Exact Mass 580.194769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2v1CH1i9URw
Name #9E;1-[1-[(6-NITRO-(PIPERIDINE-1-YL-METHYL)-1H-BENZO-[D]-IMIDAZOL-2-YL]-METHYL]-6-OXIDO-4,8-DIHYDRO-1H-[1,3,2]-DIOXAPHOSPHENO-[5,6-C]-PYRAZOL-6-YL-3-PHENYLUREA
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H29N8O6P
InChI InChI=1S/C26H29N8O6P/c35-26(28-20-7-3-1-4-8-20)30-41(38)39-16-19-14-27-33(24(19)17-40-41)15-25-29-22-10-9-21(34(36)37)13-23(22)32(25)18-31-11-5-2-6-12-31/h1,3-4,7-10,13-14H,2,5-6,11-12,15-18H2,(H2,28,30,35,38)
InChIKey QIHXRJHQBLEDLS-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 580.540 g/mol
Solvent DMSO-D6
Source File Reference UWBT13749
SpectraBase Batch ID J79pJaFXySg