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5'-imino-3,4-dimethoxy-[1,1':3',1':4',1'-quaterphenyl]-4',6'-dicarbonitrile
SpectraBase Compound ID LxQpLpWm2Du
InChI InChI=1S/C28H21N3O2/c1-32-26-13-12-21(14-27(26)33-2)23-15-22(24(16-29)28(31)25(23)17-30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,31H2,1-2H3
InChIKey POHCMESYNWWNBQ-UHFFFAOYSA-N
Mol Weight 431.5 g/mol
Molecular Formula C28H21N3O2
Exact Mass 431.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28u3dQkJZg
Name 5'-imino-3,4-dimethoxy-[1,1':3',1':4',1'-quaterphenyl]-4',6'-dicarbonitrile
Appearance Brown crystals
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Formula C28H21N3O2
InChI InChI=1S/C28H21N3O2/c1-32-26-13-12-21(14-27(26)33-2)23-15-22(24(16-29)28(31)25(23)17-30)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15H,31H2,1-2H3
InChIKey POHCMESYNWWNBQ-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4017
Molecular Weight 431.495 g/mol
SMILES Nc1c(c(cc(c1C#N)-c1ccc(c(c1)OC)OC)-c1ccc(cc1)-c1ccccc1)C#N
SPLASH splash10-0a5c-0007900000-07f6aaf3b03d6aefb3c6
Source of Spectrum Y-57-SM12-5
Wiley ID 1860302