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N(4)-ACETYL-3'-O-(2-CYANOETHYL-N,N-DIISOPROPYLPHOSPHORAMIDITE)-5'-O-(4,4-DIMETHOXYTRITYL)-2'-METHYLSELENO-2'-DEOXYCYTOSINE
SpectraBase Compound ID 7mChlFiXgwb
InChI InChI=1S/2C42H52N5O8PSe/c2*1-28(2)47(29(3)4)56(53-26-12-24-43)55-38-36(54-40(39(38)57-8)46-25-23-37(44-30(5)48)45-41(46)49)27-52-42(31-13-10-9-11-14-31,32-15-19-34(50-6)20-16-32)33-17-21-35(51-7)22-18-33/h2*9-11,13-23,25,28-29,36,38-40H,12,26-27H2,1-8H3,(H,44,45,48,49)/t2*36-,38-,39-,40-,56?/m00/s1
InChIKey GLENPBHBGPCUCA-LAMZVZSISA-N
Mol Weight 1729.7 g/mol
Molecular Formula C84H104N10O16P2Se2
Exact Mass 1730.543745 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oIiHXYORoQ
Name N(4)-ACETYL-3'-O-(2-CYANOETHYL-N,N-DIISOPROPYLPHOSPHORAMIDITE)-5'-O-(4,4-DIMETHOXYTRITYL)-2'-METHYLSELENO-2'-DEOXYCYTOSINE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H104N10O16P2Se2
InChI InChI=1S/2C42H52N5O8PSe/c2*1-28(2)47(29(3)4)56(53-26-12-24-43)55-38-36(54-40(39(38)57-8)46-25-23-37(44-30(5)48)45-41(46)49)27-52-42(31-13-10-9-11-14-31,32-15-19-34(50-6)20-16-32)33-17-21-35(51-7)22-18-33/h2*9-11,13-23,25,28-29,36,38-40H,12,26-27H2,1-8H3,(H,44,45,48,49)/t2*36-,38-,39-,40-,56?/m00/s1
InChIKey GLENPBHBGPCUCA-LAMZVZSISA-N
Literature Reference Author Y.BUZIN,N.CARRASCO,Z.HUANG
Literature Reference Citation ORG.LETTERS,6,1099(2004)
Literature Reference DOI 10.1021/ol0365077
Solvent CDCl3
Source File Reference UWSI34621