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2-[6-Amino-1-(4-nitrophenyl)-2-phenyl-2-(phenylamino)-2,3-dihydropyrimidine-4(1H)-ylidene]malononitrile
SpectraBase Compound ID FOQb8aPRcSo
InChI InChI=1S/C25H19N7O2/c26-16-18(17-27)23-15-24(28)31(21-11-13-22(14-12-21)32(33)34)25(30-23,19-7-3-1-4-8-19)29-20-9-5-2-6-10-20/h1-15,29-30H,28H2
InChIKey IQOSGGRANLKVMH-UHFFFAOYSA-N
Mol Weight 449.47 g/mol
Molecular Formula C25H19N7O2
Exact Mass 449.160023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LfS6flLBun
Name 2-[6-Amino-1-(4-nitrophenyl)-2-phenyl-2-(phenylamino)-2,3-dihydropyrimidine-4(1H)-ylidene]malononitrile
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19N7O2
InChI InChI=1S/C25H19N7O2/c26-16-18(17-27)23-15-24(28)31(21-11-13-22(14-12-21)32(33)34)25(30-23,19-7-3-1-4-8-19)29-20-9-5-2-6-10-20/h1-15,29-30H,28H2
InChIKey IQOSGGRANLKVMH-UHFFFAOYSA-N
Instrument Name JEOL JMS-600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2510
Molecular Weight 449.474 g/mol
SMILES N1C(C=C(N(C1(Nc1ccccc1)c1ccccc1)c1ccc(cc1)[N+]([O-])=O)N)=C(C#N)C#N
SPLASH splash10-03fr-2911200000-705ddacd3055f13a0c8e
Source of Spectrum Y-53-1944-6e
Wiley ID 1876718