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4-CHLORO-N-(9H-PURIN-6-YL)-BENZAMID

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4-CHLORO-N-(9H-PURIN-6-YL)-BENZAMID
SpectraBase Compound ID Hv6RhPrRkH3
InChI InChI=1S/C12H8ClN5O/c13-8-3-1-7(2-4-8)12(19)18-11-9-10(15-5-14-9)16-6-17-11/h1-6H,(H2,14,15,16,17,18,19)
InChIKey RQPVNETZACSDHQ-UHFFFAOYSA-N
Mol Weight 273.68 g/mol
Molecular Formula C12H8ClN5O
Exact Mass 273.041738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqDuivdq8Py
Name 4-CHLORO-N-(9H-PURIN-6-YL)-BENZAMID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8ClN5O
InChI InChI=1S/C12H8ClN5O/c13-8-3-1-7(2-4-8)12(19)18-11-9-10(15-5-14-9)16-6-17-11/h1-6H,(H2,14,15,16,17,18,19)
InChIKey RQPVNETZACSDHQ-UHFFFAOYSA-N
Literature Reference Author W.RIED,H.WOITHE,A.MUELLER
Literature Reference Citation HELV.CHIM.ACTA,72,1597(1989)
Literature Reference DOI 10.1002/hlca.19890720720
Molecular Weight 273.681 g/mol
Solvent DMSO-D6
Source File Reference UWED17749