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4-Bromo-3-(4-bromophenyl)-5-(4-methoxyphenyl)isoxazole
SpectraBase Compound ID 8YqULToFHo7
InChI InChI=1S/C16H11Br2NO2/c1-20-13-8-4-11(5-9-13)16-14(18)15(19-21-16)10-2-6-12(17)7-3-10/h2-9H,1H3
InChIKey HLRNJGPZKJZOFZ-UHFFFAOYSA-N
Mol Weight 409.08 g/mol
Molecular Formula C16H11Br2NO2
Exact Mass 406.915655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kuxu73o6ZMG
Name 4-Bromo-3-(4-bromophenyl)-5-(4-methoxyphenyl)isoxazole
Appearance Colorless crystals
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Formula C16H11Br2NO2
InChI InChI=1S/C16H11Br2NO2/c1-20-13-8-4-11(5-9-13)16-14(18)15(19-21-16)10-2-6-12(17)7-3-10/h2-9H,1H3
InChIKey HLRNJGPZKJZOFZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02106
Molecular Weight 409.077 g/mol
SMILES c1(Br)c(noc1-c1ccc(cc1)OC)-c1ccc(cc1)Br
SPLASH splash10-000i-1900200000-bf9c298e9c4941ffb1c8
Source of Spectrum JOC-86-327-3a
Wiley ID 1867688