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N-(3)-BENZOYL-N-(1)-[(E)-5-DIETHOXYPHOSPHONYLPENT-2-ENYL]-5-BROMOURACIL
SpectraBase Compound ID JNBf0zymEtk
InChI InChI=1S/C20H24BrN2O6P/c1-3-28-30(27,29-4-2)14-10-6-9-13-22-15-17(21)19(25)23(20(22)26)18(24)16-11-7-5-8-12-16/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3/b9-6+
InChIKey KFTUKLGGEIBLQK-RMKNXTFCSA-N
Mol Weight 499.3 g/mol
Molecular Formula C20H24BrN2O6P
Exact Mass 498.055536 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4W6IpVa6kw7
Name N-(3)-BENZOYL-N-(1)-[(E)-5-DIETHOXYPHOSPHONYLPENT-2-ENYL]-5-BROMOURACIL
Compound Number 13D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24BrN2O6P
InChI InChI=1S/C20H24BrN2O6P/c1-3-28-30(27,29-4-2)14-10-6-9-13-22-15-17(21)19(25)23(20(22)26)18(24)16-11-7-5-8-12-16/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3/b9-6+
InChIKey KFTUKLGGEIBLQK-RMKNXTFCSA-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 UWMZ40586