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2-[(1R)-2',2',2'-Trifluoro-1'-hydroxy-1'-phenylethyl]-1,3-benzoxathiol-3(2H)-oxide

View entire compound with spectra: 2 MS (GC)

2-[(1R)-2',2',2'-Trifluoro-1'-hydroxy-1'-phenylethyl]-1,3-benzoxathiol-3(2H)-oxide
SpectraBase Compound ID JLvDc0Q5Q9i
InChI InChI=1S/C15H11F3O3S/c16-15(17,18)14(19,10-6-2-1-3-7-10)13-21-11-8-4-5-9-12(11)22(13)20/h1-9,13,19H/t13?,14-,22?/m0/s1
InChIKey MZMVJCFSKRXPMN-ABTIHDLSSA-N
Mol Weight 328.31 g/mol
Molecular Formula C15H11F3O3S
Exact Mass 328.0381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuAiGlQhVl7
Name 2-[(1R)-2',2',2'-Trifluoro-1'-hydroxy-1'-phenylethyl]-1,3-benzoxathiol-3(2H)-oxide
Alternate Name(s) [2S]-2-[(1R)-1'-Phenyl-2',2',2'-trifluoroethyl-1'-hydroxyethyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide (1R)-2,2,2-trifluoro-1-(3-oxido-1,3-benzoxathiol-2-yl)-1-phenylethanol (2S)-2-[(1R)-2',2',2'-Trifluoro-1'-hydroxy-1'-phenylethyl]-1,3-benzoxathiol-3(2H)-oxide
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Formula C15H11F3O3S
InChI InChI=1S/C15H11F3O3S/c16-15(17,18)14(19,10-6-2-1-3-7-10)13-21-11-8-4-5-9-12(11)22(13)20/h1-9,13,19H/t13?,14-,22?/m0/s1
InChIKey MZMVJCFSKRXPMN-ABTIHDLSSA-N
Molecular Weight 328.305 g/mol
SMILES O[C@@](C1S(c2ccccc2O1)=O)(C(F)(F)F)c1ccccc1
SPLASH splash10-056r-5900000000-42fbcec8a1adc520b3c4
Source of Spectrum Y-40-986-5
Wiley ID 1567238