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2'-DEOXY-5'-PHOSPHOTHYMIDINE-3'-PHOSPHOTHIOATE
SpectraBase Compound ID SEFNHtAqS3
InChI InChI=1S/C10H16N2O10P2S/c1-5-3-12(10(14)11-9(5)13)8-2-6(22-24(18,19)25)7(21-8)4-20-23(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,25)/t6-,7+,8+/m0/s1
InChIKey PJSAFIHPJAIZRG-XLPZGREQSA-N
Mol Weight 418.25 g/mol
Molecular Formula C10H16N2O10P2S
Exact Mass 418.00009 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWSS8drX2yW
Name 2'-DEOXY-5'-PHOSPHOTHYMIDINE-3'-PHOSPHOTHIOATE
Comments , C=0.01M, PH=8, 31P-{1H}
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H16N2O10P2S
InChI InChI=1S/C10H16N2O10P2S/c1-5-3-12(10(14)11-9(5)13)8-2-6(22-24(18,19)25)7(21-8)4-20-23(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,25)/t6-,7+,8+/m0/s1
InChIKey PJSAFIHPJAIZRG-XLPZGREQSA-N
Instrument Name Bruker HX-90
Literature Reference S.I.OSHEVSKY, V.S.BOGACHEV, V.P.KUMAREV (1984) Bioorganich.Khim.(Russ. Lang.):v.10, N9, 1190-1198.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O water