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9-[(2-ACETOXYETHOXY)-METHYL]-2-CHLORO-6-(PARA-TOYLAMINO)-PURINE
SpectraBase Compound ID DqzrwWIYGIL
InChI InChI=1S/C17H18ClN5O3/c1-11-3-5-13(6-4-11)20-15-14-16(22-17(18)21-15)23(9-19-14)10-25-7-8-26-12(2)24/h3-6,9H,7-8,10H2,1-2H3,(H,20,21,22)
InChIKey NPELLVIYWCYMAO-UHFFFAOYSA-N
Mol Weight 375.82 g/mol
Molecular Formula C17H18ClN5O3
Exact Mass 375.109817 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kt8Mnr6pibX
Name 9-[(2-ACETOXYETHOXY)-METHYL]-2-CHLORO-6-(PARA-TOYLAMINO)-PURINE
Compound Number 6M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18ClN5O3
InChI InChI=1S/C17H18ClN5O3/c1-11-3-5-13(6-4-11)20-15-14-16(22-17(18)21-15)23(9-19-14)10-25-7-8-26-12(2)24/h3-6,9H,7-8,10H2,1-2H3,(H,20,21,22)
InChIKey NPELLVIYWCYMAO-UHFFFAOYSA-N
Literature Reference Author G.QU,S.HAN,Z.ZHANG,M.GENG,F.XUE
Literature Reference Citation CAN.J.CHEM.,84,819(2006)
Literature Reference DOI 10.1139/v06-061
Molecular Weight 375.815 g/mol
Sample ID 46724
Solvent DMSO-D6