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5-Amino-3-methyl-4-[phenyl(phenylamino)methyl]isoxazole
SpectraBase Compound ID 1815lQJcfzy
InChI InChI=1S/C17H17N3O/c1-12-15(17(18)21-20-12)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,16,19H,18H2,1H3
InChIKey GQMRRCAYJRBTRP-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C17H17N3O
Exact Mass 279.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuhgkpFGthv
Name 5-Amino-3-methyl-4-[phenyl(phenylamino)methyl]isoxazole
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O
InChI InChI=1S/C17H17N3O/c1-12-15(17(18)21-20-12)16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11,16,19H,18H2,1H3
InChIKey GQMRRCAYJRBTRP-UHFFFAOYSA-N
Instrument Name Kratos or a Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2521
Molecular Weight 279.343 g/mol
SMILES Nc1onc(c1C(c1ccccc1)Nc1ccccc1)C
SPLASH splash10-0006-9200000000-af32541adcf0dc9fb804
Source of Spectrum Y-53-2009-8
Thin-Layer Chromatography Rf = 0.6 [pet. ether (40-60)/ethyl acetate, 1: 3)
Wiley ID 1876737