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3'-O-ACETYLDEOXYTHYMIDINE, 5'-PHENYL(CYANOETHYL)PHOSPHATE(DIASTEREOMER MIXTURE)
SpectraBase Compound ID IFxpNvsyxOf
InChI InChI=1S/C21H24N3O9P/c1-14-12-24(21(27)23-20(14)26)19-11-17(31-15(2)25)18(32-19)13-30-34(28,29-10-6-9-22)33-16-7-4-3-5-8-16/h3-5,7-8,12,17-19H,6,10-11,13H2,1-2H3,(H,23,26,27)/t17-,18+,19+,34?/m0/s1
InChIKey PMHVZWZBHHXALV-JOQRBTQLSA-N
Mol Weight 493.41 g/mol
Molecular Formula C21H24N3O9P
Exact Mass 493.125016 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9w8R3oezOd
Name 3'-O-ACETYLDEOXYTHYMIDINE, 5'-PHENYL(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 C21H24N3O9P
InChI InChI=1S/C21H24N3O9P/c1-14-12-24(21(27)23-20(14)26)19-11-17(31-15(2)25)18(32-19)13-30-34(28,29-10-6-9-22)33-16-7-4-3-5-8-16/h3-5,7-8,12,17-19H,6,10-11,13H2,1-2H3,(H,23,26,27)/t17-,18+,19+,34?/m0/s1
InChIKey PMHVZWZBHHXALV-JOQRBTQLSA-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