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#7B;N(2)-ISOBUTYRYL-O(6)-[2-(4-NITROPHENYL)-ETHYL]-9-(2'-BENZOYL-3'-BENZOYLOXYMETHYL-6'-TERT.-BUTYLDIPHENYLSILYL-3',5'-DIDEOXY-BETA-D-ALLO-FURANOSYL)-GUANINE
SpectraBase Compound ID INBEd9koUi5
InChI InChI=1S/C54H56N6O10Si/c1-36(2)48(61)57-53-56-47-45(49(58-53)66-32-30-37-26-28-40(29-27-37)60(64)65)55-35-59(47)50-46(70-52(63)39-20-12-7-13-21-39)43(34-67-51(62)38-18-10-6-11-19-38)44(69-50)31-33-68-71(54(3,4)5,41-22-14-8-15-23-41)42-24-16-9-17-25-42/h6-29,35-36,43-44,46,50H,30-34H2,1-5H3,(H,56,57,58,61)/t43-,44-,46-,50-/m0/s1
InChIKey ICAYWSQHLBTZGX-KCSSUQHNSA-N
Mol Weight 977.2 g/mol
Molecular Formula C54H56N6O10Si
Exact Mass 976.382719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMyaHwfc1eI
Name #7B;N(2)-ISOBUTYRYL-O(6)-[2-(4-NITROPHENYL)-ETHYL]-9-(2'-BENZOYL-3'-BENZOYLOXYMETHYL-6'-TERT.-BUTYLDIPHENYLSILYL-3',5'-DIDEOXY-BETA-D-ALLO-FURANOSYL)-GUANINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H56N6O10Si
InChI InChI=1S/C54H56N6O10Si/c1-36(2)48(61)57-53-56-47-45(49(58-53)66-32-30-37-26-28-40(29-27-37)60(64)65)55-35-59(47)50-46(70-52(63)39-20-12-7-13-21-39)43(34-67-51(62)38-18-10-6-11-19-38)44(69-50)31-33-68-71(54(3,4)5,41-22-14-8-15-23-41)42-24-16-9-17-25-42/h6-29,35-36,43-44,46,50H,30-34H2,1-5H3,(H,56,57,58,61)/t43-,44-,46-,50-/m0/s1
InChIKey ICAYWSQHLBTZGX-KCSSUQHNSA-N
Literature Reference Author C.RICHERT,A.L.ROUGHTON,S.A.BENNER
Literature Reference Citation J.AM.CHEM.SOC.,118,4518(1996)
Literature Reference DOI 10.1021/ja952322m
Molecular Weight 977.158 g/mol
Sample ID 57079
Solvent CDCl3