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4-(2-Bromo-4,5-dimethoxyphenyl)-5-(2-iodophenyl)isoxazole

View entire compound with spectra: 1 MS (GC)

4-(2-Bromo-4,5-dimethoxyphenyl)-5-(2-iodophenyl)isoxazole
SpectraBase Compound ID Lr2XPhhR5rD
InChI InChI=1S/C17H13BrINO3/c1-21-15-7-11(13(18)8-16(15)22-2)12-9-20-23-17(12)10-5-3-4-6-14(10)19/h3-9H,1-2H3
InChIKey WZZKZTFUHCLXJF-UHFFFAOYSA-N
Mol Weight 486.1 g/mol
Molecular Formula C17H13BrINO3
Exact Mass 484.912351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5q3aruKP1nU
Name 4-(2-Bromo-4,5-dimethoxyphenyl)-5-(2-iodophenyl)isoxazole
Alternate Name(s) 4-(2-bromo-4,5-dimethoxyphenyl)-5-(2-iodophenyl)-1,2-oxazole 4-(2-bromanyl-4,5-dimethoxy-phenyl)-5-(2-iodanylphenyl)-1,2-oxazole
Comments Less than 3 mono-isotopic peaks
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Formula C17H13BrINO3
InChI InChI=1S/C17H13BrINO3/c1-21-15-7-11(13(18)8-16(15)22-2)12-9-20-23-17(12)10-5-3-4-6-14(10)19/h3-9H,1-2H3
InChIKey WZZKZTFUHCLXJF-UHFFFAOYSA-N
Molecular Weight 486.103 g/mol
SMILES c1noc(c1-c1c(cc(c(c1)OC)OC)Br)-c1c(cccc1)I
SPLASH splash10-000i-0000900000-f194151546c35c07f921
Source of Spectrum J-65-6410-21
Wiley ID 1533312