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(E)-2-amino-6-chloro-N(9)-(3,4-bis(diethylphosphono)-2-buten-1-yl)purine
SpectraBase Compound ID 97gOrCuqicv
InChI InChI=1S/C17H28ClN5O6P2/c1-5-26-30(24,27-6-2)11-13(31(25,28-7-3)29-8-4)9-10-23-12-20-14-15(18)21-17(19)22-16(14)23/h9,12H,5-8,10-11H2,1-4H3,(H2,19,21,22)/b13-9+
InChIKey CJESAJOCGVOHEM-UKTHLTGXSA-N
Mol Weight 495.84 g/mol
Molecular Formula C17H28ClN5O6P2
Exact Mass 495.120335 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fTC4ijuP6C
Name (E)-2-AMINO-6-CHLORO-N(9)-[3,4-BIS-(DIETHYLPHOSPHONO)-2-BUTEN-1-YL]-PURINE
CAS Registry Number 135878-75-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28ClN5O6P2
InChI InChI=1S/C17H28ClN5O6P2/c1-5-26-30(24,27-6-2)11-13(31(25,28-7-3)29-8-4)9-10-23-12-20-14-15(18)21-17(19)22-16(14)23/h9,12H,5-8,10-11H2,1-4H3,(H2,19,21,22)/b13-9+
InChIKey CJESAJOCGVOHEM-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
Solvent DMSO-D6
Source File Reference UWCS1338