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4-N-[5'-O-(4,4'-DIMETHOXYTRITYL)-THYMIDINE-3'-YL]-(2-CYANOETHYL)-PHOSPHORYL-3',5'-O-BIS-(TERT.-BUTYLDIMETHYLSILYL)-DEOXYCYTIDINE
SpectraBase Compound ID KtvimbMdoDh
InChI InChI=1S/C55H75N6O13PSi2/c1-37-34-61(52(64)58-50(37)62)49-32-43(45(71-49)35-68-55(38-18-15-14-16-19-38,39-20-24-41(66-8)25-21-39)40-22-26-42(67-9)27-23-40)73-75(65,69-31-17-29-56)59-47-28-30-60(51(63)57-47)48-33-44(74-77(12,13)54(5,6)7)46(72-48)36-70-76(10,11)53(2,3)4/h14-16,18-28,30,34,43-46,48-49H,17,31-33,35-36H2,1-13H3,(H,58,62,64)(H,57,59,63,65)/t43-,44-,45+,46+,48+,49+,75?/m0/s1
InChIKey MJJZRMIROXOYIG-NLOUAAAASA-N
Mol Weight 1115.4 g/mol
Molecular Formula C55H75N6O13PSi2
Exact Mass 1114.466827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2jE0MMjLhr
Name 4-N-[5'-O-(4,4'-DIMETHOXYTRITYL)-THYMIDINE-3'-YL]-(2-CYANOETHYL)-PHOSPHORYL-3',5'-O-BIS-(TERT.-BUTYLDIMETHYLSILYL)-DEOXYCYTIDINE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H75N6O13PSi2
InChI InChI=1S/C55H75N6O13PSi2/c1-37-34-61(52(64)58-50(37)62)49-32-43(45(71-49)35-68-55(38-18-15-14-16-19-38,39-20-24-41(66-8)25-21-39)40-22-26-42(67-9)27-23-40)73-75(65,69-31-17-29-56)59-47-28-30-60(51(63)57-47)48-33-44(74-77(12,13)54(5,6)7)46(72-48)36-70-76(10,11)53(2,3)4/h14-16,18-28,30,34,43-46,48-49H,17,31-33,35-36H2,1-13H3,(H,58,62,64)(H,57,59,63,65)/t43-,44-,45+,46+,48+,49+,75?/m0/s1
InChIKey MJJZRMIROXOYIG-NLOUAAAASA-N
Literature Reference Author M.SEKINE,A.OHKUBO,K.SEIO
Literature Reference Citation J.ORG.CHEM.,68,5478(2003)
Literature Reference DOI 10.1021/jo034204k
Molecular Weight 1115.378 g/mol
Solvent CDCl3
Source File Reference UWVN25337