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2-[6-Amino-1-(4-methoxyphenyl)-2-phenyl-2-(phenyl-amino)-2,3-dihydropyrimidine-4(1H)-ylidene]malononitrile
SpectraBase Compound ID 56iGIDT6A8l
InChI InChI=1S/C26H22N6O/c1-33-23-14-12-22(13-15-23)32-25(29)16-24(19(17-27)18-28)31-26(32,20-8-4-2-5-9-20)30-21-10-6-3-7-11-21/h2-16,30-31H,29H2,1H3
InChIKey JETOBLSVGQZIQW-UHFFFAOYSA-N
Mol Weight 434.5 g/mol
Molecular Formula C26H22N6O
Exact Mass 434.185509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YdJsWgZ7ZJ
Name 2-[6-Amino-1-(4-methoxyphenyl)-2-phenyl-2-(phenyl-amino)-2,3-dihydropyrimidine-4(1H)-ylidene]malononitrile
Appearance Green crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N6O
InChI InChI=1S/C26H22N6O/c1-33-23-14-12-22(13-15-23)32-25(29)16-24(19(17-27)18-28)31-26(32,20-8-4-2-5-9-20)30-21-10-6-3-7-11-21/h2-16,30-31H,29H2,1H3
InChIKey JETOBLSVGQZIQW-UHFFFAOYSA-N
Instrument Name JEOL JMS-600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2510
Molecular Weight 434.503 g/mol
SMILES N1C(C=C(N(C1(Nc1ccccc1)c1ccccc1)c1ccc(cc1)OC)N)=C(C#N)C#N
SPLASH splash10-03di-0910400000-c7465ef920049fcf299a
Source of Spectrum Y-53-1943-6c
Wiley ID 1876716