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3'-O-ACETYLDEOXYTHYMIDINE, 5'-PARA-CHLOROPHENYL(CYANOETHYL)PHOSPHATE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID CIpSnb96ycN
InChI InChI=1S/C21H23ClN3O9P/c1-13-11-25(21(28)24-20(13)27)19-10-17(32-14(2)26)18(33-19)12-31-35(29,30-9-3-8-23)34-16-6-4-15(22)5-7-16/h4-7,11,17-19H,3,9-10,12H2,1-2H3,(H,24,27,28)/t17-,18+,19+,35?/m0/s1
InChIKey OGYYDVNRFPUVRP-AXOPYWAMSA-N
Mol Weight 527.85 g/mol
Molecular Formula C21H23ClN3O9P
Exact Mass 527.086044 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGv239qyQLY
Name 3'-O-ACETYLDEOXYTHYMIDINE, 5'-PARA-CHLOROPHENYL(CYANOETHYL)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 C21H23ClN3O9P
InChI InChI=1S/C21H23ClN3O9P/c1-13-11-25(21(28)24-20(13)27)19-10-17(32-14(2)26)18(33-19)12-31-35(29,30-9-3-8-23)34-16-6-4-15(22)5-7-16/h4-7,11,17-19H,3,9-10,12H2,1-2H3,(H,24,27,28)/t17-,18+,19+,35?/m0/s1
InChIKey OGYYDVNRFPUVRP-AXOPYWAMSA-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