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5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-[(N,N-DIISOPROPYLAMINO)-(4-METHYLTHIO-1-BUTYLOXY)]-PHOSPHINYL-2'-DEOXYTHYMIDINE
SpectraBase Compound ID 1rHl2IAleEN
InChI InChI=1S/2C42H56N3O8PS/c2*1-29(2)45(30(3)4)54(51-24-12-13-25-55-8)53-37-26-39(44-27-31(5)40(46)43-41(44)47)52-38(37)28-50-42(32-14-10-9-11-15-32,33-16-20-35(48-6)21-17-33)34-18-22-36(49-7)23-19-34/h2*9-11,14-23,27,29-30,37-39H,12-13,24-26,28H2,1-8H3,(H,43,46,47)/t2*37-,38+,39+,54?/m11/s1
InChIKey TVDZWKHZGCESGN-FFXINBQKSA-N
Mol Weight 1587.9 g/mol
Molecular Formula C84H112N6O16P2S2
Exact Mass 1586.705148 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZJyjg3r8HX
Name 5'-O-(4,4'-DIMETHOXYTRITYL)-3'-O-[(N,N-DIISOPROPYLAMINO)-(4-METHYLTHIO-1-BUTYLOXY)]-PHOSPHINYL-2'-DEOXYTHYMIDINE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C84H112N6O16P2S2
InChI InChI=1S/2C42H56N3O8PS/c2*1-29(2)45(30(3)4)54(51-24-12-13-25-55-8)53-37-26-39(44-27-31(5)40(46)43-41(44)47)52-38(37)28-50-42(32-14-10-9-11-15-32,33-16-20-35(48-6)21-17-33)34-18-22-36(49-7)23-19-34/h2*9-11,14-23,27,29-30,37-39H,12-13,24-26,28H2,1-8H3,(H,43,46,47)/t2*37-,38+,39+,54?/m11/s1
InChIKey TVDZWKHZGCESGN-FFXINBQKSA-N
Literature Reference Author J.CIESLAK,A.GRAJKOWSKI,V.LIVENGOOD,S.BEAUCAGE
Literature Reference Citation J.ORG.CHEM.,69,2509(2004)
Literature Reference DOI 10.1021/jo035861f
Solvent CDCl3
Source File Reference UWVN21447