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(rac)-3,5-Bis(trifluoromethyl)(4-phenylbutan-2-ylthio)benzene
SpectraBase Compound ID ADA0gUOz2DX
InChI InChI=1S/C18H16F6S/c1-12(7-8-13-5-3-2-4-6-13)25-16-10-14(17(19,20)21)9-15(11-16)18(22,23)24/h2-6,9-12H,7-8H2,1H3
InChIKey GFLAQXXKNHQBHS-UHFFFAOYSA-N
Mol Weight 378.38 g/mol
Molecular Formula C18H16F6S
Exact Mass 378.087691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fe1WH5gyPB7
Name (rac)-3,5-Bis(trifluoromethyl)(4-phenylbutan-2-ylthio)benzene
Alternate Name(s) (3,5-bis(trifluoromethyl)phenyl)(4-phenylbutan-2-yl)sulfane 1-(4-phenylbutan-2-ylthio)-3,5-bis(trifluoromethyl)benzene 1-(1-Methyl-3-phenyl-propyl)sulfanyl-3,5-bis(trifluoromethyl)benzene 1-(4-phenylbutan-2-ylsulfanyl)-3,5-bis(trifluoromethyl)benzene
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Formula C18H16F6S
InChI InChI=1S/C18H16F6S/c1-12(7-8-13-5-3-2-4-6-13)25-16-10-14(17(19,20)21)9-15(11-16)18(22,23)24/h2-6,9-12H,7-8H2,1H3
InChIKey GFLAQXXKNHQBHS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo402246h
Molecular Weight 378.376 g/mol
SMILES c1cc(CCC(Sc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C)ccc1
SPLASH splash10-002f-9605000000-7b02fba515b114f931a4
Source of Spectrum J-78-12608-3e
Wiley ID 1747385