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5-Amino-3-methyl-4-[(phenylamino)(p-tolyl)methyl]isoxazole
SpectraBase Compound ID FJFinRZzkVh
InChI InChI=1S/C18H19N3O/c1-12-8-10-14(11-9-12)17(16-13(2)21-22-18(16)19)20-15-6-4-3-5-7-15/h3-11,17,20H,19H2,1-2H3
InChIKey OTTSFNZKYDPDSB-UHFFFAOYSA-N
Mol Weight 293.37 g/mol
Molecular Formula C18H19N3O
Exact Mass 293.152812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IW5hIJ7IoKN
Name 5-Amino-3-methyl-4-[(phenylamino)(p-tolyl)methyl]isoxazole
Appearance White crystals
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Formula C18H19N3O
InChI InChI=1S/C18H19N3O/c1-12-8-10-14(11-9-12)17(16-13(2)21-22-18(16)19)20-15-6-4-3-5-7-15/h3-11,17,20H,19H2,1-2H3
InChIKey OTTSFNZKYDPDSB-UHFFFAOYSA-N
Instrument Name Kratos or a Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2521
Molecular Weight 293.370 g/mol
SMILES Nc1onc(c1C(c1ccc(cc1)C)Nc1ccccc1)C
SPLASH splash10-0006-9010000000-21743e7974c3819d4e0d
Source of Spectrum Y-53-2010-11
Thin-Layer Chromatography Rf = 0.7 (pet.ether (40-60)/ethyl acetate, 1:3)
Wiley ID 1876726