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9-(4-aminophenyl)purine-6-carbonitrile
SpectraBase Compound ID 5ayLbEcmfI7
InChI InChI=1S/C12H8N6/c13-5-10-11-12(16-6-15-10)18(7-17-11)9-3-1-8(14)2-4-9/h1-4,6-7H,14H2
InChIKey JCODUGSOZBAYMN-UHFFFAOYSA-N
Mol Weight 236.24 g/mol
Molecular Formula C12H8N6
Exact Mass 236.081044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DnLwVi4mHnh
Name 9-(4-aminophenyl)purine-6-carbonitrile
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8N6
InChI InChI=1S/C12H8N6/c13-5-10-11-12(16-6-15-10)18(7-17-11)9-3-1-8(14)2-4-9/h1-4,6-7H,14H2
InChIKey JCODUGSOZBAYMN-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 236.236 g/mol
Solvent DMSO-D6
Source File Reference WANG1623