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(E)-ethyl 4-(4-bromophenyl)-2-methyl-4-oxo-3-(trifluoromethylthio)but-2-enoate
SpectraBase Compound ID Jx2ff2zbEd6
InChI InChI=1S/C14H12BrF3O3S/c1-3-21-13(20)8(2)12(22-14(16,17)18)11(19)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3/b12-8+
InChIKey RYKQPFFHEQIINJ-XYOKQWHBSA-N
Mol Weight 397.21 g/mol
Molecular Formula C14H12BrF3O3S
Exact Mass 395.964263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gv20tV9eB2l
Name (E)-ethyl 4-(4-bromophenyl)-2-methyl-4-oxo-3-(trifluoromethylthio)but-2-enoate
Appearance Yellow oil
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Formula C14H12BrF3O3S
InChI InChI=1S/C14H12BrF3O3S/c1-3-21-13(20)8(2)12(22-14(16,17)18)11(19)9-4-6-10(15)7-5-9/h4-7H,3H2,1-2H3/b12-8+
InChIKey RYKQPFFHEQIINJ-XYOKQWHBSA-N
Instrument Name IonSpec FT-ICR
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000304
Molecular Weight 397.206 g/mol
Reported Formula C14H12BrF3O3S
SMILES c1(ccc(cc1)C(\C(=C\(C)C(OCC)=O)SC(F)(F)F)=O)Br
SPLASH splash10-0a5j-0900000000-4ba991bbd18c88e46aaa
Source of Spectrum ASC-362-SM6-2f
Wiley ID 1839321