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(4E)-2-[(trifluoromethyl)seleno]-5-phenyl-4-pentenoic acid ethyl ester
SpectraBase Compound ID 3nQjMUATicE
InChI InChI=1S/C14H15F3O2Se/c1-2-19-13(18)12(20-14(15,16)17)10-6-9-11-7-4-3-5-8-11/h3-9,12H,2,10H2,1H3/b9-6+
InChIKey VQMMLKRDDMUXBT-RMKNXTFCSA-N
Mol Weight 351.24 g/mol
Molecular Formula C14H15F3O2Se
Exact Mass 352.018936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40h2fSf4RE
Name (4E)-2-[(trifluoromethyl)seleno]-5-phenyl-4-pentenoic acid ethyl ester
Appearance Colorless oil
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Formula C14H15F3O2Se
InChI InChI=1S/C14H15F3O2Se/c1-2-19-13(18)12(20-14(15,16)17)10-6-9-11-7-4-3-5-8-11/h3-9,12H,2,10H2,1H3/b9-6+
InChIKey VQMMLKRDDMUXBT-RMKNXTFCSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 351.239 g/mol
Quality 101
Reported Formula C14H15F3O2Se
SMILES C([Se]C(C(=O)OCC)C\C=C\C1=CC=CC=C1)(F)(F)F
SPLASH splash10-0lfr-1920000000-a85015037fef893225a6
Source of Spectrum QE-22-SM31-3x (DOI: 10.1002/chem.201602730)
Wiley ID 1905025