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Ethyl 5-bromo-3'-(trifluoromethyl)biphenyl-2-carboxylate
SpectraBase Compound ID LX1yBe3lXsF
InChI InChI=1S/C16H12BrF3O2/c1-2-22-15(21)13-7-6-12(17)9-14(13)10-4-3-5-11(8-10)16(18,19)20/h3-9H,2H2,1H3
InChIKey SBWZQFSWKPBELU-UHFFFAOYSA-N
Mol Weight 373.17 g/mol
Molecular Formula C16H12BrF3O2
Exact Mass 371.997277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oOlDwOxOqN
Name Ethyl 5-bromo-3'-(trifluoromethyl)biphenyl-2-carboxylate
Alternate Name(s) 5-Bromo-3'-trifluoromethyl-biphenyl-2-carboxylic acid ethyl ester Ethyl 5-bromo-3'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylate
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Formula C16H12BrF3O2
InChI InChI=1S/C16H12BrF3O2/c1-2-22-15(21)13-7-6-12(17)9-14(13)10-4-3-5-11(8-10)16(18,19)20/h3-9H,2H2,1H3
InChIKey SBWZQFSWKPBELU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802118e
Molecular Weight 373.169 g/mol
SMILES c1(c(ccc(Br)c1)C(OCC)=O)-c1cc(ccc1)C(F)(F)F
SPLASH splash10-00b9-0039000000-5017e16d6ec473995cf2
Source of Spectrum A1-10-4705/SM3-4b
Wiley ID 1760017