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(E,E)-N(9)-[4-(DIETHYLPHOSPHONO)-1,3-BUTADIEN-1-YL]-ADENINE
SpectraBase Compound ID E6xNdFbxtFK
InChI InChI=1S/C13H18N5O4P/c1-3-21-23(20,22-4-2)8-6-5-7-18-9-15-10-11(18)16-13(14)17-12(10)19/h5-9H,3-4H2,1-2H3,(H3,14,16,17,19)/b7-5+,8-6+
InChIKey QLYNEVGPRNYFDV-KQQUZDAGSA-N
Mol Weight 339.29 g/mol
Molecular Formula C13H18N5O4P
Exact Mass 339.109641 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbtK0xwbkp6
Name (E,E)-N(9)-[4-(DIETHYLPHOSPHONO)-1,3-BUTADIEN-1-YL]-ADENINE
CAS Registry Number 139347-56-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N5O4P
InChI InChI=1S/C13H18N5O4P/c1-3-21-23(20,22-4-2)8-6-5-7-18-9-15-10-11(18)16-13(14)17-12(10)19/h5-9H,3-4H2,1-2H3,(H3,14,16,17,19)/b7-5+,8-6+
InChIKey QLYNEVGPRNYFDV-KQQUZDAGSA-N
Literature Reference Author S.MEGATI,S.PHADTARE,J.ZEMLICKA
Literature Reference Citation J.ORG.CHEM.,57,2320(1992)
Literature Reference DOI 10.1021/jo00034a025
Solvent DMSO-D6
Source File Reference UWCS1342