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1-[(E)-2-(4-bromophenyl)-2-[(trifluoromethyl)selanyl]ethenesulfonyl]-4-methylbenzene
SpectraBase Compound ID 43CDGuYR74
InChI InChI=1S/C16H12BrF3O2SSe/c1-11-2-8-14(9-3-11)23(21,22)10-15(24-16(18,19)20)12-4-6-13(17)7-5-12/h2-10H,1H3/b15-10+
InChIKey PGKCIFYMECGRPF-XNTDXEJSSA-N
Mol Weight 484.2 g/mol
Molecular Formula C16H12BrF3O2SSe
Exact Mass 483.88587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eVmG8UTCXk
Name 1-[(E)-2-(4-bromophenyl)-2-[(trifluoromethyl)selanyl]ethenesulfonyl]-4-methylbenzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrF3O2SSe
InChI InChI=1S/C16H12BrF3O2SSe/c1-11-2-8-14(9-3-11)23(21,22)10-15(24-16(18,19)20)12-4-6-13(17)7-5-12/h2-10H,1H3/b15-10+
InChIKey PGKCIFYMECGRPF-XNTDXEJSSA-N
Instrument Name Agilent HP 5890-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.260
Molecular Weight 484.201 g/mol
SMILES c1cc(ccc1Br)\C([Se]C(F)(F)F)=C/S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0ukc-6950100000-4ff5d6c698d92ac1d8d3
Source of Spectrum BJO-13-SM32-3f
Wiley ID 1848303