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7ReU1t4xOKO
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7ReU1t4xOKO
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31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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[4-(2,6-DICHLORO-PURIN-9-YL-METHYL)-7-(DIETHOXY-PHOSPHORYL)-HEPTYL]-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID ERqWO7fiad6
InChI InChI=1S/C21H36Cl2N4O6P2/c1-5-30-34(28,31-6-2)13-9-11-17(12-10-14-35(29,32-7-3)33-8-4)15-27-16-24-18-19(22)25-21(23)26-20(18)27/h16-17H,5-15H2,1-4H3
InChIKey UDUNNZSTUUVLNK-UHFFFAOYSA-N
Mol Weight 573.4 g/mol
Molecular Formula C21H36Cl2N4O6P2
Exact Mass 572.148714 g/mol
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31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ReU1t4xOKO
Name [4-(2,6-DICHLORO-PURIN-9-YL-METHYL)-7-(DIETHOXY-PHOSPHORYL)-HEPTYL]-PHOSPHONIC-ACID-DIETHYLESTER
Compound Number 68
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36Cl2N4O6P2
InChI InChI=1S/C21H36Cl2N4O6P2/c1-5-30-34(28,31-6-2)13-9-11-17(12-10-14-35(29,32-7-3)33-8-4)15-27-16-24-18-19(22)25-21(23)26-20(18)27/h16-17H,5-15H2,1-4H3
InChIKey UDUNNZSTUUVLNK-UHFFFAOYSA-N
Literature Reference Author B.XU,A.STEPHENS,G.KRISCHENHEUTER,A.F.GRESLIN,X.CHENG,J.SENNE LO,M.CATTANEO,M.L.ZI
Literature Reference Citation J.MED.CHEM.,45,5694(2002)
Literature Reference DOI 10.1021/jm020173u
Solvent Unknown
Source File Reference UWLU65719
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