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N,N'-(4-Methyl-1,3-phenylene)bis[3-amino-2-(2-benzoxazolyl)acrylaldehyde]
SpectraBase Compound ID 1HcwuPdg5n5
InChI InChI=1S/C27H20N4O4/c1-17-10-11-20(28-13-18(15-32)26-30-21-6-2-4-8-24(21)34-26)12-23(17)29-14-19(16-33)27-31-22-7-3-5-9-25(22)35-27/h2-16,28-29H,1H3/b18-13-,19-14-
InChIKey SIFYPWGAWZGTMF-SXQSXHJWSA-N
Mol Weight 464.48 g/mol
Molecular Formula C27H20N4O4
Exact Mass 464.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIWwDfNduXm
Name N,N'-(4-Methyl-1,3-phenylene)bis[3-amino-2-(2-benzoxazolyl)acrylaldehyde]
Comments Structure changed after expert review
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Formula C27H20N4O4
InChI InChI=1S/C27H20N4O4/c1-17-10-11-20(28-13-18(15-32)26-30-21-6-2-4-8-24(21)34-26)12-23(17)29-14-19(16-33)27-31-22-7-3-5-9-25(22)35-27/h2-16,28-29H,1H3/b18-13-,19-14-
InChIKey SIFYPWGAWZGTMF-SXQSXHJWSA-N
Molecular Weight 464.481 g/mol
SMILES N(c1cc(ccc1C)N\C=C/(c1nc2ccccc2o1)C=O)\C=C/(c1nc2ccccc2o1)C=O
SPLASH splash10-0296-9420000000-106dd9299d452a065b8f
Synonyms (2E)-2-(1,3-Benzoxazol-2-yl)-3-(3-([(1E)-2-(1,3-benzoxazol-2-yl)-3-oxo-1-propenyl]amino)-4-methylanilino)-2-propenal
Wiley ID 1469630