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2-[[2,4,4,6,6-pentakis(3,5-dimethylpyrazol-1-yl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]-2-phenyl-acetic acid ethyl ester
SpectraBase Compound ID 9otmsDcssQz
InChI InChI=1S/C35H47N14O2P3/c1-12-51-35(50)34(33-16-14-13-15-17-33)41-52(45-28(7)18-23(2)36-45)42-53(46-29(8)19-24(3)37-46,47-30(9)20-25(4)38-47)44-54(43-52,48-31(10)21-26(5)39-48)49-32(11)22-27(6)40-49/h13-22,34,41H,12H2,1-11H3
InChIKey BAFBHNAQXASLLZ-UHFFFAOYSA-N
Mol Weight 788.8 g/mol
Molecular Formula C35H47N14O2P3
Exact Mass 788.321928 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ISuDOp6wUYC
Name 2-[[2,4,4,6,6-pentakis(3,5-dimethylpyrazol-1-yl)-1,3,5-triaza-2$l^{5},4$l^{5},6$l^{5}-triphosphacyclohexa-1,3,5-trien-2-yl]amino]-2-phenyl-acetic acid ethyl ester
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H47N14O2P3
InChI InChI=1S/C35H47N14O2P3/c1-12-51-35(50)34(33-16-14-13-15-17-33)41-52(45-28(7)18-23(2)36-45)42-53(46-29(8)19-24(3)37-46,47-30(9)20-25(4)38-47)44-54(43-52,48-31(10)21-26(5)39-48)49-32(11)22-27(6)40-49/h13-22,34,41H,12H2,1-11H3
InChIKey BAFBHNAQXASLLZ-UHFFFAOYSA-N
Literature Reference Author V.VICENTE,A.FRUCHIER,H.J.CRISTAU
Literature Reference Citation MAGN.RES.CHEM.,41,183(2003)
Literature Reference DOI 10.1002/mrc.1155
Solvent CDCl3
Source File Reference UWMZ20051