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5-Amino-4-[(4-bromophenyl)(phenylamino)methyl]-3-methyl-isoxazole
SpectraBase Compound ID 4Oh9jcj8cGc
InChI InChI=1S/C17H16BrN3O/c1-11-15(17(19)22-21-11)16(12-7-9-13(18)10-8-12)20-14-5-3-2-4-6-14/h2-10,16,20H,19H2,1H3
InChIKey RABIYHGEWCTRKW-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C17H16BrN3O
Exact Mass 357.047675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrpJSxskVmD
Name 5-Amino-4-[(4-bromophenyl)(phenylamino)methyl]-3-methyl-isoxazole
Appearance Red crystals
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Formula C17H16BrN3O
InChI InChI=1S/C17H16BrN3O/c1-11-15(17(19)22-21-11)16(12-7-9-13(18)10-8-12)20-14-5-3-2-4-6-14/h2-10,16,20H,19H2,1H3
InChIKey RABIYHGEWCTRKW-UHFFFAOYSA-N
Instrument Name Kratos or a Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2521
Molecular Weight 358.239 g/mol
SMILES Nc1onc(c1C(c1ccc(cc1)Br)Nc1ccccc1)C
SPLASH splash10-0006-9010000000-a0150b0e59c95f2590bf
Source of Spectrum Y-53-2010-10
Thin-Layer Chromatography Rf = 0.7 (pet. ether (40-60)/ethyl acetate, 1:2)
Wiley ID 1876725