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N-(3)-BENZOYL-N-(1)-[(E)-5-DIETHOXYPHOSPHONYLPENT-2-ENYL]-THYMINE
SpectraBase Compound ID 5FMFlnbDeuU
InChI InChI=1S/C21H27N2O6P/c1-4-28-30(27,29-5-2)15-11-7-10-14-22-16-17(3)19(24)23(21(22)26)20(25)18-12-8-6-9-13-18/h6-10,12-13,16H,4-5,11,14-15H2,1-3H3/b10-7+
InChIKey XCSFHTDOCFOSQM-JXMROGBWSA-N
Mol Weight 434.43 g/mol
Molecular Formula C21H27N2O6P
Exact Mass 434.160674 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OQKy5Qd0Q
Name N-(3)-BENZOYL-N-(1)-[(E)-5-DIETHOXYPHOSPHONYLPENT-2-ENYL]-THYMINE
Compound Number 13E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N2O6P
InChI InChI=1S/C21H27N2O6P/c1-4-28-30(27,29-5-2)15-11-7-10-14-22-16-17(3)19(24)23(21(22)26)20(25)18-12-8-6-9-13-18/h6-10,12-13,16H,4-5,11,14-15H2,1-3H3/b10-7+
InChIKey XCSFHTDOCFOSQM-JXMROGBWSA-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 UWMZ40587