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6-[4-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-phenyl]-2-imino-4-phenyl-1,2-dihydro-pyridine-3-carbonitrile
SpectraBase Compound ID 9obmCbdFxUb
InChI InChI=1S/C26H17N5O2/c27-15-21-20(16-6-2-1-3-7-16)14-23(29-24(21)28)17-10-12-18(13-11-17)31-25(32)19-8-4-5-9-22(19)30-26(31)33/h1-14H,(H2,28,29)(H,30,33)
InChIKey DXWKJMNOFPYYKG-UHFFFAOYSA-N
Mol Weight 431.46 g/mol
Molecular Formula C26H17N5O2
Exact Mass 431.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fn9aegNsW
Name 6-[4-(2,4-Dioxo-1,4-dihydro-2H-quinazolin-3-yl)-phenyl]-2-imino-4-phenyl-1,2-dihydro-pyridine-3-carbonitrile
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17N5O2
InChI InChI=1S/C26H17N5O2/c27-15-21-20(16-6-2-1-3-7-16)14-23(29-24(21)28)17-10-12-18(13-11-17)31-25(32)19-8-4-5-9-22(19)30-26(31)33/h1-14H,(H2,28,29)(H,30,33)
InChIKey DXWKJMNOFPYYKG-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3889
Molecular Weight 431.455 g/mol
SMILES N1C(C(=C(C=C1c1ccc(N2C(Nc3ccccc3C2=O)=O)cc1)c1ccccc1)C#N)=N
SPLASH splash10-014l-9653400000-c1b6dc8b1af3d51b42ce
Source of Spectrum Y-57-SM7-6
Wiley ID 1860142