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(E)-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)adenine
SpectraBase Compound ID 7xieornlyb3
InChI InChI=1S/C17H29N5O7P2/c1-5-26-30(24,27-6-2)11-13(31(25,28-7-3)29-8-4)9-10-22-12-19-14-15(22)20-17(18)21-16(14)23/h9,12H,5-8,10-11H2,1-4H3,(H3,18,20,21,23)/b13-9+
InChIKey OOXNKNBXEPOZHK-UKTHLTGXSA-N
Mol Weight 477.39 g/mol
Molecular Formula C17H29N5O7P2
Exact Mass 477.154222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UsRZvTRxPu
Name (E)-N(9)-[3,4-BIS-(DIETHYLPHOSPHONO)-2-BUTEN-1-YL]-ADENINE
CAS Registry Number 139347-53-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H29N5O7P2
InChI InChI=1S/C17H29N5O7P2/c1-5-26-30(24,27-6-2)11-13(31(25,28-7-3)29-8-4)9-10-22-12-19-14-15(22)20-17(18)21-16(14)23/h9,12H,5-8,10-11H2,1-4H3,(H3,18,20,21,23)/b13-9+
InChIKey OOXNKNBXEPOZHK-UKTHLTGXSA-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
Molecular Weight 477.394 g/mol
Solvent DMSO-D6
Source File Reference UWCS1337