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(E)-3-bromo-5,5,5-trifluoro-2-hydroxy-2,4-diphenyl-3-pentenoic acid methyl ester
SpectraBase Compound ID 3iLHgKLLTSo
InChI InChI=1S/C18H14BrF3O3/c1-25-16(23)17(24,13-10-6-3-7-11-13)15(19)14(18(20,21)22)12-8-4-2-5-9-12/h2-11,24H,1H3/b15-14+
InChIKey LUMATRYQBMYZSF-CCEZHUSRSA-N
Mol Weight 415.21 g/mol
Molecular Formula C18H14BrF3O3
Exact Mass 414.007842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyL3lDHGxth
Name (E)-3-bromo-5,5,5-trifluoro-2-hydroxy-2,4-diphenyl-3-pentenoic acid methyl ester
Alternate Name(s) (E)-3-bromo-5,5,5-trifluoro-2-hydroxy-2,4-diphenyl-pent-3-enoic acid methyl ester Methyl (E)-3-bromanyl-5,5,5-tris(fluoranyl)-2-oxidanyl-2,4-diphenyl-pent-3-enoate Methyl (E)-3-bromo-5,5,5-trifluoro-2-hydroxy-2,4-diphenyl-pent-3-enoate
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Formula C18H14BrF3O3
InChI InChI=1S/C18H14BrF3O3/c1-25-16(23)17(24,13-10-6-3-7-11-13)15(19)14(18(20,21)22)12-8-4-2-5-9-12/h2-11,24H,1H3/b15-14+
InChIKey LUMATRYQBMYZSF-CCEZHUSRSA-N
Molecular Weight 415.206 g/mol
SMILES OC(\C(=C/(C(F)(F)F)c1ccccc1)Br)(C(=O)OC)c1ccccc1
SPLASH splash10-0a4i-0329000000-373c702606b04de2c1ce
Source of Spectrum AJ-72-1373-13
Wiley ID 775103