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2-[(trifluoromethyl)seleno]-3-(2-fluorophenyl)propanoic acid ethyl ester
SpectraBase Compound ID 7E9YUk1UtY1
InChI InChI=1S/C12H12F4O2Se/c1-2-18-11(17)10(19-12(14,15)16)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3
InChIKey AUYZOBIZDPGKHD-UHFFFAOYSA-N
Mol Weight 343.19 g/mol
Molecular Formula C12H12F4O2Se
Exact Mass 343.993864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ba6JKtkoqjb
Name 2-[(trifluoromethyl)seleno]-3-(2-fluorophenyl)propanoic acid ethyl ester
Appearance Colorless oil
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Exact Mass 343.993864276 u
Formula C12H12F4O2Se
InChI InChI=1S/C12H12F4O2Se/c1-2-18-11(17)10(19-12(14,15)16)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3
InChIKey AUYZOBIZDPGKHD-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 343.191 g/mol
Quality 73
Reported Formula C12H12F4O2Se
SMILES C([Se]C(C(=O)OCC)CC1=C(C=CC=C1)F)(F)(F)F
SPLASH splash10-0002-0900000000-6e902825c1d976b3aeee
Source of Spectrum QE-22-SM30-3s (DOI: 10.1002/chem.201602730)
Wiley ID 1905023