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2-Amino-6-(dicyanomethyl)-4-phenylpyridine-3,5-dicarbonitrile
SpectraBase Compound ID 8UGGws8sGty
InChI InChI=1S/C16H8N6/c17-6-11(7-18)15-12(8-19)14(10-4-2-1-3-5-10)13(9-20)16(21)22-15/h1-5,11H,(H2,21,22)
InChIKey YOKGAZCODZPKKU-UHFFFAOYSA-N
Mol Weight 284.28 g/mol
Molecular Formula C16H8N6
Exact Mass 284.081044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ln0aOpm1JeJ
Name 2-Amino-6-(dicyanomethyl)-4-phenylpyridine-3,5-dicarbonitrile
Comments Computed using HOSE algorithm
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Exact Mass 284.081044282 u
Formula C16H8N6
InChI InChI=1S/C16H8N6/c17-6-11(7-18)15-12(8-19)14(10-4-2-1-3-5-10)13(9-20)16(21)22-15/h1-5,11H,(H2,21,22)
InChIKey YOKGAZCODZPKKU-UHFFFAOYSA-N
Molecular Weight 284.282 g/mol
SMILES C1(=C(C(=C(N=C1C(C#N)C#N)N)C#N)C1=CC=CC=C1)C#N