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N-(1)-[(E)-5-DIETHOXYPHOSPHONYLPENT-2-ENYL]-5-CHLOROURACIL
SpectraBase Compound ID KA2L4CAc5sM
InChI InChI=1S/C13H20ClN2O5P/c1-3-20-22(19,21-4-2)9-7-5-6-8-16-10-11(14)12(17)15-13(16)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17,18)/b6-5+
InChIKey NEWJSCWZSUGULL-AATRIKPKSA-N
Mol Weight 350.74 g/mol
Molecular Formula C13H20ClN2O5P
Exact Mass 350.079836 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMTXyLKkt9W
Name N-(1)-[(E)-5-DIETHOXYPHOSPHONYLPENT-2-ENYL]-5-CHLOROURACIL
Compound Number 14C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20ClN2O5P
InChI InChI=1S/C13H20ClN2O5P/c1-3-20-22(19,21-4-2)9-7-5-6-8-16-10-11(14)12(17)15-13(16)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,17,18)/b6-5+
InChIKey NEWJSCWZSUGULL-AATRIKPKSA-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 UWMZ40600