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N-(1)-[(E)5--DIHYDROXYPHOSPHONYLPENT-2-ENYL]-5-BROMOURACIL
SpectraBase Compound ID LdrMqweYURF
InChI InChI=1S/C9H12BrN2O5P/c10-7-6-12(9(14)11-8(7)13)4-2-1-3-5-18(15,16)17/h1-2,6H,3-5H2,(H,11,13,14)(H2,15,16,17)/b2-1+
InChIKey UBSZOBUHNRQZAW-OWOJBTEDSA-N
Mol Weight 339.08 g/mol
Molecular Formula C9H12BrN2O5P
Exact Mass 337.966721 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ8wImCbJY
Name N-(1)-[(E)5--DIHYDROXYPHOSPHONYLPENT-2-ENYL]-5-BROMOURACIL
Compound Number 15D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10BrN2O5P
InChI InChI=1S/C9H12BrN2O5P/c10-7-6-12(9(14)11-8(7)13)4-2-1-3-5-18(15,16)17/h1-2,6H,3-5H2,(H,11,13,14)(H2,15,16,17)/b2-1+
InChIKey UBSZOBUHNRQZAW-OWOJBTEDSA-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 CD3OD
Source File Reference UWMZ40611