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(E,E)-N(9)-(4-PHOSPHONO-1,3-BUTADIEN-1-YL)-ADENINE
SpectraBase Compound ID JPLlg0aynNp
InChI InChI=1S/C9H10N5O4P/c10-9-12-7-6(8(15)13-9)11-5-14(7)3-1-2-4-19(16,17)18/h1-5H,(H2,16,17,18)(H3,10,12,13,15)/b3-1+,4-2+
InChIKey IMIQYHGQHSTLBK-ZPUQHVIOSA-N
Mol Weight 283.18 g/mol
Molecular Formula C9H10N5O4P
Exact Mass 283.047041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1EaXUbMFGfC
Name (E,E)-N(9)-(4-PHOSPHONO-1,3-BUTADIEN-1-YL)-ADENINE
CAS Registry Number 139347-57-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N5O4P
InChI InChI=1S/C9H10N5O4P/c10-9-12-7-6(8(15)13-9)11-5-14(7)3-1-2-4-19(16,17)18/h1-5H,(H2,16,17,18)(H3,10,12,13,15)/b3-1+,4-2+
InChIKey IMIQYHGQHSTLBK-ZPUQHVIOSA-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 281.167 g/mol
Solvent DMSO-D6
Source File Reference UWCS1343