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(4R,5R)-4-[(4-methylphenyl)thio]-5-(1,1,2,2,2-pentafluoroethyl)tetrahydrofuran-2-one
SpectraBase Compound ID JdlpGqECnS4
InChI InChI=1S/C13H11F5O2S/c1-7-2-4-8(5-3-7)21-9-6-10(19)20-11(9)12(14,15)13(16,17)18/h2-5,9,11H,6H2,1H3/t9-,11+/m1/s1
InChIKey JXVGZYKZVWOHEQ-KOLCDFICSA-N
Mol Weight 326.28 g/mol
Molecular Formula C13H11F5O2S
Exact Mass 326.039992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtsarosDnWJ
Name (4R,5R)-4-(4-methylphenyl)sulfanyl-5-(1,1,2,2,2-pentafluoroethyl)oxolan-2-one
Alternate Name(s) (4R,5R)-4-(4-methylphenyl)sulfanyl-5-[1,1,2,2,2-pentakis(fluoranyl)ethyl]oxolan-2-one (4R,5R)-4-[(4-methylphenyl)thio]-5-(1,1,2,2,2-pentafluoroethyl)-2-oxolanone (4R,5R)-5-(1,1,2,2,2-pentafluoroethyl)-4-(p-tolylsulfanyl)tetrahydrofuran-2-one (4R,5R)-5-(1,1,2,2,2-pentafluoroethyl)-4-(p-tolylthio)tetrahydrofuran-2-one
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Formula C13H11F5O2S
InChI InChI=1S/C13H11F5O2S/c1-7-2-4-8(5-3-7)21-9-6-10(19)20-11(9)12(14,15)13(16,17)18/h2-5,9,11H,6H2,1H3/t9-,11+/m1/s1
InChIKey JXVGZYKZVWOHEQ-KOLCDFICSA-N
Molecular Weight 326.281 g/mol
SMILES C([C@@]1([C@@](CC(O1)=O)(Sc1ccc(cc1)C)[H])[H])(C(F)(F)F)(F)F
SPLASH splash10-00bd-5901000000-fa9368f7470de5aab369
Source of Spectrum K1-2002-1899-7
Wiley ID 872340