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9-(4-chlorophenyl)purine-6-carbonitrile

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9-(4-chlorophenyl)purine-6-carbonitrile
SpectraBase Compound ID HMdh5hAGskN
InChI InChI=1S/C12H6ClN5/c13-8-1-3-9(4-2-8)18-7-17-11-10(5-14)15-6-16-12(11)18/h1-4,6-7H
InChIKey LNWBFGFASFAYTO-UHFFFAOYSA-N
Mol Weight 255.67 g/mol
Molecular Formula C12H6ClN5
Exact Mass 255.031173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAJAp6J5w5d
Name 9-(4-chlorophenyl)purine-6-carbonitrile
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H6ClN5
InChI InChI=1S/C12H6ClN5/c13-8-1-3-9(4-2-8)18-7-17-11-10(5-14)15-6-16-12(11)18/h1-4,6-7H
InChIKey LNWBFGFASFAYTO-UHFFFAOYSA-N
Literature Reference Author M.J.ALVES,M.A.CARVALHO,M.F.J.R.P.PROENCA,B.L.BOOTH,R.G.PRITC HARD
Literature Reference Citation J.HETCYCL.CHEM.,34,739(1997)
Literature Reference DOI 10.1002/jhet.5570340306
Molecular Weight 255.666 g/mol
Solvent DMSO-D6
Source File Reference WANG1626