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N-(3)-BENZOYL-N-(1)-[(E)-4-DIMETHOXYPHOSPHONYLBUT-2-ENYL]-5-FLUOROURACIL
SpectraBase Compound ID DoUMeWmb7jj
InChI InChI=1S/C17H18FN2O6P/c1-25-27(24,26-2)11-7-6-10-19-12-14(18)16(22)20(17(19)23)15(21)13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3/b7-6+
InChIKey JJDHQPAZMPAYOF-VOTSOKGWSA-N
Mol Weight 396.31 g/mol
Molecular Formula C17H18FN2O6P
Exact Mass 396.088651 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSjNF0VYsfo
Name N-(3)-BENZOYL-N-(1)-[(E)-4-DIMETHOXYPHOSPHONYLBUT-2-ENYL]-5-FLUOROURACIL
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18FN2O6P
InChI InChI=1S/C17H18FN2O6P/c1-25-27(24,26-2)11-7-6-10-19-12-14(18)16(22)20(17(19)23)15(21)13-8-4-3-5-9-13/h3-9,12H,10-11H2,1-2H3/b7-6+
InChIKey JJDHQPAZMPAYOF-VOTSOKGWSA-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 UWMZ40579