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1-[(7-METHOXY-2-OXO-2H-CHROMEN-4-YL)-METHYL]-2-AMINO-6-CHLORO-PURINE
SpectraBase Compound ID CLtOO7aitYT
InChI InChI=1S/C16H12ClN5O3/c1-24-9-2-3-10-8(4-12(23)25-11(10)5-9)6-22-7-19-13-14(17)20-16(18)21-15(13)22/h2-5,7H,6H2,1H3,(H2,18,20,21)
InChIKey WNHAJZCWMVPLNL-UHFFFAOYSA-N
Mol Weight 357.76 g/mol
Molecular Formula C16H12ClN5O3
Exact Mass 357.062867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HeHcaVPv0Iz
Name 1-[(7-METHOXY-2-OXO-2H-CHROMEN-4-YL)-METHYL]-2-AMINO-6-CHLORO-PURINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12ClN5O3
InChI InChI=1S/C16H12ClN5O3/c1-24-9-2-3-10-8(4-12(23)25-11(10)5-9)6-22-7-19-13-14(17)20-16(18)21-15(13)22/h2-5,7H,6H2,1H3,(H2,18,20,21)
InChIKey WNHAJZCWMVPLNL-UHFFFAOYSA-N
Literature Reference Author K.BENCI,L.MANDIC,T.SUHINA,M.SEDIC,M.KLOBUCAR,S.K.PAVELIC,K.P AVELIC,K.WITTINE
Literature Reference Citation MOLECULES,17,11010(2012)
Literature Reference DOI 10.3390/molecules170911010
Molecular Weight 357.756 g/mol
Sample ID 692
Solvent DMSO-D6