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#9G;2,10-DI-TERT.-BUTYL-4,8-BIS-[(2R,4R)-4-ETHYL-3-(4-METHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-2-ISOPROPOXY-DIBENZO-[D,F]-[1,3,2]-DIOXAPHOSPHEPINE
SpectraBase Compound ID A1vtd6SQ6Yr
InChI InChI=1S/C47H61N2O9PS2/c1-13-34-27-54-44(48(34)60(50,51)36-19-15-30(5)16-20-36)40-25-32(46(7,8)9)23-38-39-24-33(47(10,11)12)26-41(43(39)58-59(56-29(3)4)57-42(38)40)45-49(35(14-2)28-55-45)61(52,53)37-21-17-31(6)18-22-37/h15-26,29,34-35,44-45H,13-14,27-28H2,1-12H3/t34-,35-,44-,45-/m1/s1
InChIKey FECCYQVOXLQDHK-HPKZXJETSA-N
Mol Weight 893.1 g/mol
Molecular Formula C47H61N2O9PS2
Exact Mass 892.355611 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQLz26CiUl4
Name #9G;2,10-DI-TERT.-BUTYL-4,8-BIS-[(2R,4R)-4-ETHYL-3-(4-METHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-2-ISOPROPOXY-DIBENZO-[D,F]-[1,3,2]-DIOXAPHOSPHEPINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H61N2O9PS2
InChI InChI=1S/C47H61N2O9PS2/c1-13-34-27-54-44(48(34)60(50,51)36-19-15-30(5)16-20-36)40-25-32(46(7,8)9)23-38-39-24-33(47(10,11)12)26-41(43(39)58-59(56-29(3)4)57-42(38)40)45-49(35(14-2)28-55-45)61(52,53)37-21-17-31(6)18-22-37/h15-26,29,34-35,44-45H,13-14,27-28H2,1-12H3/t34-,35-,44-,45-/m1/s1
InChIKey FECCYQVOXLQDHK-HPKZXJETSA-N
Literature Reference Author S.WUNNEMANN,R.FROEHLICH,D.HOPPE
Literature Reference Citation ORG.LETTERS,8,2455(2006)
Literature Reference DOI 10.1021/ol060528u
Solvent CDCl3
Source File Reference UWLU59144