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4-Ethoxycarbonyl-3-phenyl-5-(bromodifluoromethyl)isoxazole
SpectraBase Compound ID FvXqPqBZzUt
InChI InChI=1S/C13H10BrF2NO3/c1-2-19-12(18)9-10(8-6-4-3-5-7-8)17-20-11(9)13(14,15)16/h3-7H,2H2,1H3
InChIKey PNZPKJCNXKAIDX-UHFFFAOYSA-N
Mol Weight 346.13 g/mol
Molecular Formula C13H10BrF2NO3
Exact Mass 344.981213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpMahwp0s5W
Name 4-Ethoxycarbonyl-3-phenyl-5-(bromodifluoromethyl)isoxazole
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Formula C13H10BrF2NO3
InChI InChI=1S/C13H10BrF2NO3/c1-2-19-12(18)9-10(8-6-4-3-5-7-8)17-20-11(9)13(14,15)16/h3-7H,2H2,1H3
InChIKey PNZPKJCNXKAIDX-UHFFFAOYSA-N
Molecular Weight 346.128 g/mol
SMILES c1(noc(c1C(=O)OCC)C(F)(F)Br)-c1ccccc1
SPLASH splash10-00kg-0759000000-0241a3b7e72aa4d21423
Source of Spectrum KC-57-5784-6
Synonyms Ethyl 5-[bromo(difluoro)methyl]-3-phenyl-4-isoxazolecarboxylate 5-[bromo(difluoro)methyl]-3-phenyl-4-isoxazolecarboxylic acid ethyl ester Ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate Ethyl 5-[bromo(difluoro)methyl]-3-phenyl-isoxazole-4-carboxylate Ethyl 5-[bromanyl-bis(fluoranyl)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
Wiley ID 1624879