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5'-(5'-O-METHOXYTRITYLDEOXYTHYMIDINE-3'-IMIDAZOLIDOPHOSPHORYL)-3'-O-ACETYLDEOXYTHYMIDINE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID B7s77xHgkTY
InChI InChI=1S/C45H47N6O13P/c1-28-23-50(43(55)47-41(28)53)39-21-35(61-30(3)52)38(63-39)26-60-65(57,49-20-19-46-27-49)64-36-22-40(51-24-29(2)42(54)48-44(51)56)62-37(36)25-59-45(31-11-7-5-8-12-31,32-13-9-6-10-14-32)33-15-17-34(58-4)18-16-33/h5-20,23-24,27,35-40H,21-22,25-26H2,1-4H3,(H,47,53,55)(H,48,54,56)/t35-,36-,37+,38+,39+,40+,65?/m0/s1
InChIKey YPSKPYDDADKLLJ-XBWDRNCPSA-N
Mol Weight 910.9 g/mol
Molecular Formula C45H47N6O13P
Exact Mass 910.293873 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RuYSb4LL94
Name 5'-(5'-O-METHOXYTRITYLDEOXYTHYMIDINE-3'-IMIDAZOLIDOPHOSPHORYL)-3'-O-ACETYLDEOXYTHYMIDINE (DIASTEREOMER MIXTURE)
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C45H47N6O13P
InChI InChI=1S/C45H47N6O13P/c1-28-23-50(43(55)47-41(28)53)39-21-35(61-30(3)52)38(63-39)26-60-65(57,49-20-19-46-27-49)64-36-22-40(51-24-29(2)42(54)48-44(51)56)62-37(36)25-59-45(31-11-7-5-8-12-31,32-13-9-6-10-14-32)33-15-17-34(58-4)18-16-33/h5-20,23-24,27,35-40H,21-22,25-26H2,1-4H3,(H,47,53,55)(H,48,54,56)/t35-,36-,37+,38+,39+,40+,65?/m0/s1
InChIKey YPSKPYDDADKLLJ-XBWDRNCPSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C5H5N pyridine