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5'-O-DIMETHOXYTRITYLDEOXYTHYMIDINE-3'-1,2,4-TRIAZOLIDO(4-CHLOROPHENYL)PHOSPHATE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID 8ZPenfjCCJJ
InChI InChI=1S/C39H37ClN5O9P/c1-26-22-44(38(47)43-37(26)46)36-21-34(54-55(48,45-25-41-24-42-45)53-33-19-13-30(40)14-20-33)35(52-36)23-51-39(27-7-5-4-6-8-27,28-9-15-31(49-2)16-10-28)29-11-17-32(50-3)18-12-29/h4-20,22,24-25,34-36H,21,23H2,1-3H3,(H,43,46,47)/t34-,35+,36+,55?/m0/s1
InChIKey LRPYYXBJQUFSAC-XRWLJTIESA-N
Mol Weight 786.2 g/mol
Molecular Formula C39H37ClN5O9P
Exact Mass 785.201742 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dfumHfJJ4F
Name 5'-O-DIMETHOXYTRITYLDEOXYTHYMIDINE-3'-1,2,4-TRIAZOLIDO(4-CHLOROPHENYL)PHOSPHATE (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 C39H37ClN5O9P
InChI InChI=1S/C39H37ClN5O9P/c1-26-22-44(38(47)43-37(26)46)36-21-34(54-55(48,45-25-41-24-42-45)53-33-19-13-30(40)14-20-33)35(52-36)23-51-39(27-7-5-4-6-8-27,28-9-15-31(49-2)16-10-28)29-11-17-32(50-3)18-12-29/h4-20,22,24-25,34-36H,21,23H2,1-3H3,(H,43,46,47)/t34-,35+,36+,55?/m0/s1
InChIKey LRPYYXBJQUFSAC-XRWLJTIESA-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 C4H8O2 dioxane