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4-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]benzonitrile
SpectraBase Compound ID IGgniipRCgl
InChI InChI=1S/C18H21N7O2/c19-13-14-1-3-15(4-2-14)20-16-21-17(24-5-9-26-10-6-24)23-18(22-16)25-7-11-27-12-8-25/h1-4H,5-12H2,(H,20,21,22,23)
InChIKey FKGDGBUBSPTVBV-UHFFFAOYSA-N
Mol Weight 367.41 g/mol
Molecular Formula C18H21N7O2
Exact Mass 367.175673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 465jvafDsW
Name 4-[(4,6-dimorpholino-1,3,5-triazin-2-yl)amino]benzonitrile
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Formula C18H21N7O2
InChI InChI=1S/C18H21N7O2/c19-13-14-1-3-15(4-2-14)20-16-21-17(24-5-9-26-10-6-24)23-18(22-16)25-7-11-27-12-8-25/h1-4H,5-12H2,(H,20,21,22,23)
InChIKey FKGDGBUBSPTVBV-UHFFFAOYSA-N
Instrument Name HP 5973
Ionization Type EI+
Literature Reference DOI 10.3998/ark.5550190.0008.f23
Molecular Weight 367.413 g/mol
SMILES N(c1nc(nc(N2CCOCC2)n1)N1CCOCC1)c1ccc(cc1)C#N
SPLASH splash10-00ri-0119000000-fea430d01e4749702d8b
Source of Spectrum ARK-2007-239-7
Thin-Layer Chromatography Rf = 0.26 (CH2Cl2/MeOH, 100:1)
Wiley ID 1868948