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1-[(E)-2-(4-methylphenylsulfonyl)-1-[(trifluoromethyl)selanyl]ethenyl]-3,5-bis(trifluoromethyl)benzene
SpectraBase Compound ID HAVSIcZrz64
InChI InChI=1S/C18H11F9O2SSe/c1-10-2-4-14(5-3-10)30(28,29)9-15(31-18(25,26)27)11-6-12(16(19,20)21)8-13(7-11)17(22,23)24/h2-9H,1H3/b15-9+
InChIKey PRFYDPYYEZDYHQ-OQLLNIDSSA-N
Mol Weight 541.3 g/mol
Molecular Formula C18H11F9O2SSe
Exact Mass 541.950126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECVC32MJwas
Name 1-[(E)-2-(4-methylphenylsulfonyl)-1-[(trifluoromethyl)selanyl]ethenyl]-3,5-bis(trifluoromethyl)benzene
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H11F9O2SSe
InChI InChI=1S/C18H11F9O2SSe/c1-10-2-4-14(5-3-10)30(28,29)9-15(31-18(25,26)27)11-6-12(16(19,20)21)8-13(7-11)17(22,23)24/h2-9H,1H3/b15-9+
InChIKey PRFYDPYYEZDYHQ-OQLLNIDSSA-N
Instrument Name Agilent HP 5890-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.260
Molecular Weight 541.301 g/mol
SMILES c1(cc(cc(c1)C(F)(F)F)\C([Se]C(F)(F)F)=C/S(=O)(=O)c1ccc(cc1)C)C(F)(F)F
SPLASH splash10-0gic-7927710000-5277626e683b5bd34e45
Source of Spectrum BJO-13-SM38-3h
Wiley ID 1848305