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6-CHLORO-9-[3-(HYDROXYMETHYL)-PHENYL]-PURINE
SpectraBase Compound ID 5GhkVEyg3lU
InChI InChI=1S/C12H9ClN4O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(4-9)5-18/h1-4,6-7,18H,5H2
InChIKey XIWXOROFRIOOKB-UHFFFAOYSA-N
Mol Weight 260.68 g/mol
Molecular Formula C12H9ClN4O
Exact Mass 260.046489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53njSKCv4qq
Name 6-CHLORO-9-[3-(HYDROXYMETHYL)-PHENYL]-PURINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9ClN4O
InChI InChI=1S/C12H9ClN4O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(4-9)5-18/h1-4,6-7,18H,5H2
InChIKey XIWXOROFRIOOKB-UHFFFAOYSA-N
Literature Reference Author L.AGUADO,H.J.THIBAUT,E.M.PRIEGO,M.L.JIMENO,K.J.CAMARASA,J.NE YTS,M.J.PEREZ-PEREZ
Literature Reference Citation J.MED.CHEM.,53,316(2010)
Literature Reference DOI 10.1021/jm901240p
Molecular Weight 260.683 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45183