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N-(3)-BENZOYL-N-(1)-[(E)-4-DIMETHOXYPHOSPHONYLBUT-2-ENYL]-THYMINE
SpectraBase Compound ID 394ze07n4yF
InChI InChI=1S/C18H21N2O6P/c1-14-13-19(11-7-8-12-27(24,25-2)26-3)18(23)20(16(14)21)17(22)15-9-5-4-6-10-15/h4-10,13H,11-12H2,1-3H3/b8-7+
InChIKey NOKRJMPYAAYSMC-BQYQJAHWSA-N
Mol Weight 392.35 g/mol
Molecular Formula C18H21N2O6P
Exact Mass 392.113723 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9p6e5tQ73GW
Name N-(3)-BENZOYL-N-(1)-[(E)-4-DIMETHOXYPHOSPHONYLBUT-2-ENYL]-THYMINE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21N2O6P
InChI InChI=1S/C18H21N2O6P/c1-14-13-19(11-7-8-12-27(24,25-2)26-3)18(23)20(16(14)21)17(22)15-9-5-4-6-10-15/h4-10,13H,11-12H2,1-3H3/b8-7+
InChIKey NOKRJMPYAAYSMC-BQYQJAHWSA-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 UWMZ40580