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(E)-N(9)-(2-PHOSPHONO-1,3-BUTADIEN-1-YL)-ADENINE

View entire compound with spectra: 2 NMR

(E)-N(9)-(2-PHOSPHONO-1,3-BUTADIEN-1-YL)-ADENINE
SpectraBase Compound ID 43UmKzxjRW3
InChI InChI=1S/C9H10N5O4P/c1-2-5(19(16,17)18)3-14-4-11-6-7(14)12-9(10)13-8(6)15/h2-4H,1H2,(H2,16,17,18)(H3,10,12,13,15)/b5-3+
InChIKey QZIGDUIVBWMKPW-HWKANZROSA-N
Mol Weight 283.18 g/mol
Molecular Formula C9H10N5O4P
Exact Mass 283.047041 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4PT2bdi4Nsj
Name (E)-N(9)-(2-PHOSPHONO-1,3-BUTADIEN-1-YL)-ADENINE
CAS Registry Number 139347-55-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N5O4P
InChI InChI=1S/C9H10N5O4P/c1-2-5(19(16,17)18)3-14-4-11-6-7(14)12-9(10)13-8(6)15/h2-4H,1H2,(H2,16,17,18)(H3,10,12,13,15)/b5-3+
InChIKey QZIGDUIVBWMKPW-HWKANZROSA-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 UWCS1341