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3'-O-ACETYLDEOXYTHYMIDINE-5'-ANILIDO(2,4,6-TRIMETHYLBENZOYL)PHOSPHATE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID 971W5RJrdoN
InChI InChI=1S/C28H32N3O9P/c1-16-11-17(2)25(18(3)12-16)27(34)40-41(36,30-21-9-7-6-8-10-21)37-15-23-22(38-20(5)32)13-24(39-23)31-14-19(4)26(33)29-28(31)35/h6-12,14,22-24H,13,15H2,1-5H3,(H,30,36)(H,29,33,35)/t22-,23+,24+,41?/m0/s1
InChIKey IHAAXCBXARKCAF-AYRYEWHJSA-N
Mol Weight 585.5 g/mol
Molecular Formula C28H32N3O9P
Exact Mass 585.187617 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6cmvscP6Op8
Name 3'-O-ACETYLDEOXYTHYMIDINE-5'-ANILIDO(2,4,6-TRIMETHYLBENZOYL)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 C28H32N3O9P
InChI InChI=1S/C28H32N3O9P/c1-16-11-17(2)25(18(3)12-16)27(34)40-41(36,30-21-9-7-6-8-10-21)37-15-23-22(38-20(5)32)13-24(39-23)31-14-19(4)26(33)29-28(31)35/h6-12,14,22-24H,13,15H2,1-5H3,(H,30,36)(H,29,33,35)/t22-,23+,24+,41?/m0/s1
InChIKey IHAAXCBXARKCAF-AYRYEWHJSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (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