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N-(1)-[(E)-4-DIMETHOXYPHOSPHONYLBUT-2-ENYL]-THYMINE
SpectraBase Compound ID 7r6ehUThXm8
InChI InChI=1S/C11H17N2O5P/c1-9-8-13(11(15)12-10(9)14)6-4-5-7-19(16,17-2)18-3/h4-5,8H,6-7H2,1-3H3,(H,12,14,15)/b5-4+
InChIKey XZOJEZNRFYXRNU-SNAWJCMRSA-N
Mol Weight 288.24 g/mol
Molecular Formula C11H17N2O5P
Exact Mass 288.087509 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BXZ8qHbridg
Name N-(1)-[(E)-4-DIMETHOXYPHOSPHONYLBUT-2-ENYL]-THYMINE
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H17N2O5P
InChI InChI=1S/C11H17N2O5P/c1-9-8-13(11(15)12-10(9)14)6-4-5-7-19(16,17-2)18-3/h4-5,8H,6-7H2,1-3H3,(H,12,14,15)/b5-4+
InChIKey XZOJEZNRFYXRNU-SNAWJCMRSA-N
Literature Reference Author D.TOPALIS,U.PRADERE,V.ROY,C.CAILLAT,A.AZZOUZI,J.BROGGI,R.SNO ECK,G.ANDREI,J.LIN,J
Literature Reference Citation J.MED.CHEM.,54,222(2011)
Literature Reference DOI 10.1021/jm1011462
Solvent CDCl3
Source File Reference UWMZ40592