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3-(4-bromphenyl)-4-iodine-5-(4-methoxyphenyl)isoxazole
SpectraBase Compound ID C0TEHPqbwEb
InChI InChI=1S/C16H11BrINO2/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 MCFCHJAKZFIGOP-UHFFFAOYSA-N
Mol Weight 456.08 g/mol
Molecular Formula C16H11BrINO2
Exact Mass 454.901787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kl91ep2CL9R
Name 3-(4-bromphenyl)-4-iodine-5-(4-methoxyphenyl)isoxazole
Appearance Light yellow crystals
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Formula C16H11BrINO2
InChI InChI=1S/C16H11BrINO2/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 MCFCHJAKZFIGOP-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 456.077 g/mol
SMILES c1(noc(c1I)-c1ccc(cc1)OC)-c1ccc(cc1)Br
SPLASH splash10-000i-0900200000-1cc461987be31f3d6999
Source of Spectrum RU2711558C1
Wiley ID 1877272