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N-(1)-[(E)-4-BIS-(PIVALOYLOXYMETHYL)-PHOSPHINYLBUTEN-2-YL]-THYMINE
SpectraBase Compound ID LYPnjuTHi2h
InChI InChI=1S/C21H33N2O9P/c1-15-12-23(19(27)22-16(15)24)10-8-9-11-33(28,31-13-29-17(25)20(2,3)4)32-14-30-18(26)21(5,6)7/h8-9,12H,10-11,13-14H2,1-7H3,(H,22,24,27)/b9-8+
InChIKey HNBXERAQEPUBAG-CMDGGOBGSA-N
Mol Weight 488.5 g/mol
Molecular Formula C21H33N2O9P
Exact Mass 488.192368 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuUdRjIpElI
Name N-(1)-[(E)-4-BIS-(PIVALOYLOXYMETHYL)-PHOSPHINYLBUTEN-2-YL]-THYMINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33N2O9P
InChI InChI=1S/C21H33N2O9P/c1-15-12-23(19(27)22-16(15)24)10-8-9-11-33(28,31-13-29-17(25)20(2,3)4)32-14-30-18(26)21(5,6)7/h8-9,12H,10-11,13-14H2,1-7H3,(H,22,24,27)/b9-8+
InChIKey HNBXERAQEPUBAG-CMDGGOBGSA-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 UWMZ40613