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4-Bromo-5-phenyl-3-isoxazolecarboxylic acid methyl ester
SpectraBase Compound ID AOEIWD89P2I
InChI InChI=1S/C11H8BrNO3/c1-15-11(14)9-8(12)10(16-13-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey DHRDTTPZVUTSRL-UHFFFAOYSA-N
Mol Weight 282.09 g/mol
Molecular Formula C11H8BrNO3
Exact Mass 280.968756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JrFsQHz6d8
Name 4-Bromo-5-phenyl-3-isoxazolecarboxylic acid methyl ester
Alternate Name(s) 4-Bromo-5-phenyl-isoxazole-3-carboxylic acid methyl ester Methyl 4-bromanyl-5-phenyl-1,2-oxazole-3-carboxylate Methyl 4-bromo-5-phenyl-1,2-oxazole-3-carboxylate Methyl 4-bromo-5-phenyl-isoxazole-3-carboxylate
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Formula C11H8BrNO3
InChI InChI=1S/C11H8BrNO3/c1-15-11(14)9-8(12)10(16-13-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey DHRDTTPZVUTSRL-UHFFFAOYSA-N
Molecular Weight 282.093 g/mol
SMILES c1(c(c(-c2ccccc2)on1)Br)C(=O)OC
SPLASH splash10-001i-3290000000-ec132fb2757feb587384
Source of Spectrum SO-0-607-4
Wiley ID 879165