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N-(1)-[(E)-3-DIETHOXYPHOSPHONYLPROP-2-ENYL]-THYMINE
SpectraBase Compound ID 8At7YfZm9Z3
InChI InChI=1S/C12H19N2O5P/c1-4-18-20(17,19-5-2)8-6-7-14-9-10(3)11(15)13-12(14)16/h6,8-9H,4-5,7H2,1-3H3,(H,13,15,16)/b8-6+
InChIKey QRZIBZXVWRHQAG-SOFGYWHQSA-N
Mol Weight 302.27 g/mol
Molecular Formula C12H19N2O5P
Exact Mass 302.103159 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0RKUUuMJMo
Name N-(1)-[(E)-3-DIETHOXYPHOSPHONYLPROP-2-ENYL]-THYMINE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H19N2O5P
InChI InChI=1S/C12H19N2O5P/c1-4-18-20(17,19-5-2)8-6-7-14-9-10(3)11(15)13-12(14)16/h6,8-9H,4-5,7H2,1-3H3,(H,13,15,16)/b8-6+
InChIKey QRZIBZXVWRHQAG-SOFGYWHQSA-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 UWMZ40576