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N,N'-(1,4-phenylene)bis(2-amino-5-cyano-6-phenylnicotinamide)
SpectraBase Compound ID CO2b2phDHim
InChI InChI=1S/C32H22N8O2/c33-17-21-15-25(29(35)39-27(21)19-7-3-1-4-8-19)31(41)37-23-11-13-24(14-12-23)38-32(42)26-16-22(18-34)28(40-30(26)36)20-9-5-2-6-10-20/h1-16H,(H2,35,39)(H2,36,40)(H,37,41)(H,38,42)
InChIKey VMBHYSXIOYELCG-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C32H22N8O2
Exact Mass 550.186572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BiCQFkA2oH
Name N,N'-(1,4-phenylene)bis(2-amino-5-cyano-6-phenylnicotinamide)
Appearance Brown powder
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Formula C32H22N8O2
InChI InChI=1S/C32H22N8O2/c33-17-21-15-25(29(35)39-27(21)19-7-3-1-4-8-19)31(41)37-23-11-13-24(14-12-23)38-32(42)26-16-22(18-34)28(40-30(26)36)20-9-5-2-6-10-20/h1-16H,(H2,35,39)(H2,36,40)(H,37,41)(H,38,42)
InChIKey VMBHYSXIOYELCG-UHFFFAOYSA-N
Instrument Name Finnigan Incos 500
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3276
Molecular Weight 550.582 g/mol
SMILES N(c1ccc(cc1)NC(c1c(nc(c(c1)C#N)-c1ccccc1)N)=O)C(c1c(nc(c(c1)C#N)-c1ccccc1)N)=O
SPLASH splash10-0v00-9322200000-f092de7d3dea12c253fe
Source of Spectrum Y-55-2257-5
Wiley ID 1878831