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6-Chloro-9-(1,4-oxathian-2-yl)-9H-purine

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6-Chloro-9-(1,4-oxathian-2-yl)-9H-purine
SpectraBase Compound ID AYKId9REmDl
InChI InChI=1S/C9H9ClN4OS/c10-8-7-9(12-4-11-8)14(5-13-7)6-3-16-2-1-15-6/h4-6H,1-3H2
InChIKey KOVXBUUXUOKBGE-UHFFFAOYSA-N
Mol Weight 256.71 g/mol
Molecular Formula C9H9ClN4OS
Exact Mass 256.01856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34WxKNjpCfF
Name 6-Chloro-9-(1,4-oxathian-2-yl)-9H-purine
CAS Registry Number 99236-73-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9ClN4OS
InChI InChI=1S/C9H9ClN4OS/c10-8-7-9(12-4-11-8)14(5-13-7)6-3-16-2-1-15-6/h4-6H,1-3H2
InChIKey KOVXBUUXUOKBGE-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference W.A. Szarek, D.M. Vyas, A.M. Sepulchre, Can. J. Chem. 52, 2041 (1974).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3