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5'-O-TRITYLDEOXYTHYMIDINE-3'-ETHYL(1,2,4-TRIAZOLIDO)PHOSPHATE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID 6s0QbEe1ATE
InChI InChI=1S/C33H34N5O7P/c1-3-43-46(41,38-23-34-22-35-38)45-28-19-30(37-20-24(2)31(39)36-32(37)40)44-29(28)21-42-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,20,22-23,28-30H,3,19,21H2,1-2H3,(H,36,39,40)/t28-,29+,30+,46?/m0/s1
InChIKey AYMIGWXGFCTPOD-WDLXVUDASA-N
Mol Weight 643.6 g/mol
Molecular Formula C33H34N5O7P
Exact Mass 643.219585 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ew2cWmIWyp
Name 5'-O-TRITYLDEOXYTHYMIDINE-3'-ETHYL(1,2,4-TRIAZOLIDO)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 C33H34N5O7P
InChI InChI=1S/C33H34N5O7P/c1-3-43-46(41,38-23-34-22-35-38)45-28-19-30(37-20-24(2)31(39)36-32(37)40)44-29(28)21-42-33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,20,22-23,28-30H,3,19,21H2,1-2H3,(H,36,39,40)/t28-,29+,30+,46?/m0/s1
InChIKey AYMIGWXGFCTPOD-WDLXVUDASA-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