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BENZOIC-ACID-3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONOOXY-METHYL-PROPYLESTER-AMMONIUM-SALT
SpectraBase Compound ID BvQzeg35uai
InChI InChI=1S/C17H19ClN5O6P.H3N/c1-19-14-13-15(22-17(18)21-14)23(10-20-13)7-11(9-29-30(25,26)27)8-28-16(24)12-5-3-2-4-6-12;/h2-6,10-11H,7-9H2,1H3,(H,19,21,22)(H2,25,26,27);1H3
InChIKey GEUZNZUYFUROTG-UHFFFAOYSA-N
Mol Weight 472.83 g/mol
Molecular Formula C17H22ClN6O6P
Exact Mass 472.102697 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbFuefHge3C
Name BENZOIC-ACID-3-(2-CHLORO-6-METHYLAMINO-PURIN-9-YL)-2-PHOSPHONOOXY-METHYL-PROPYLESTER-AMMONIUM-SALT
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21ClN6O6P
InChI InChI=1S/C17H19ClN5O6P.H3N/c1-19-14-13-15(22-17(18)21-14)23(10-20-13)7-11(9-29-30(25,26)27)8-28-16(24)12-5-3-2-4-6-12;/h2-6,10-11H,7-9H2,1H3,(H,19,21,22)(H2,25,26,27);1H3
InChIKey GEUZNZUYFUROTG-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 D2O
Source File Reference UWLU65712