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5'-O-(5'-TRITYLDEOXYTHYMIDINE-3'-BENZOYLPHOSPHORYL)DEOXYTHYMIDINE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID 305678VN0Me
InChI InChI=1S/C48H47N4O14P/c1-30-26-51(46(57)49-43(30)54)41-24-37(62-32(3)53)40(64-41)29-61-67(59,66-45(56)33-16-8-4-9-17-33)65-38-25-42(52-27-31(2)44(55)50-47(52)58)63-39(38)28-60-48(34-18-10-5-11-19-34,35-20-12-6-13-21-35)36-22-14-7-15-23-36/h4-23,26-27,37-42H,24-25,28-29H2,1-3H3,(H,49,54,57)(H,50,55,58)/t37-,38-,39+,40+,41+,42+,67?/m0/s1
InChIKey NIYMNZWXSQHVCD-QAURSCKLSA-N
Mol Weight 934.9 g/mol
Molecular Formula C48H47N4O14P
Exact Mass 934.282639 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dykTnsKzDn
Name 5'-O-(5'-TRITYLDEOXYTHYMIDINE-3'-BENZOYLPHOSPHORYL)DEOXYTHYMIDINE(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 C48H47N4O14P
InChI InChI=1S/C48H47N4O14P/c1-30-26-51(46(57)49-43(30)54)41-24-37(62-32(3)53)40(64-41)29-61-67(59,66-45(56)33-16-8-4-9-17-33)65-38-25-42(52-27-31(2)44(55)50-47(52)58)63-39(38)28-60-48(34-18-10-5-11-19-34,35-20-12-6-13-21-35)36-22-14-7-15-23-36/h4-23,26-27,37-42H,24-25,28-29H2,1-3H3,(H,49,54,57)(H,50,55,58)/t37-,38-,39+,40+,41+,42+,67?/m0/s1
InChIKey NIYMNZWXSQHVCD-QAURSCKLSA-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