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1-{4-[(E)-2-(4-methylphenylsulfonyl)-1-[(trifluoromethyl)selanyl]ethenyl]phenyl}ethan-1-one
SpectraBase Compound ID EQE1PtLQ90J
InChI InChI=1S/C18H15F3O3SSe/c1-12-3-9-16(10-4-12)25(23,24)11-17(26-18(19,20)21)15-7-5-14(6-8-15)13(2)22/h3-11H,1-2H3/b17-11+
InChIKey VEVNUIVAJOXRTH-GZTJUZNOSA-N
Mol Weight 447.34 g/mol
Molecular Formula C18H15F3O3SSe
Exact Mass 447.985922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FldYFxjLpaL
Name 1-{4-[(E)-2-(4-methylphenylsulfonyl)-1-[(trifluoromethyl)selanyl]ethenyl]phenyl}ethan-1-one
Appearance White solid
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Formula C18H15F3O3SSe
InChI InChI=1S/C18H15F3O3SSe/c1-12-3-9-16(10-4-12)25(23,24)11-17(26-18(19,20)21)15-7-5-14(6-8-15)13(2)22/h3-11H,1-2H3/b17-11+
InChIKey VEVNUIVAJOXRTH-GZTJUZNOSA-N
Instrument Name Agilent HP 5890-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.260
Molecular Weight 447.342 g/mol
SMILES c1cc(ccc1C(=O)C)\C([Se]C(F)(F)F)=C/S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0a4u-7940000000-8c13fd0f164afb8e5e83
Source of Spectrum BJO-13-SM35-3g
Wiley ID 1848304