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(3R,4R,5S)-3-(4-methoxyphenyl)-2-methyl-4-(phenylsulfonyl)-5-(trifluoromethyl)-1,2-oxazolidine
SpectraBase Compound ID AhOrIRNpl9v
InChI InChI=1S/C18H18F3NO4S/c1-22-15(12-8-10-13(25-2)11-9-12)16(17(26-22)18(19,20)21)27(23,24)14-6-4-3-5-7-14/h3-11,15-17H,1-2H3/t15-,16-,17-/m1/s1
InChIKey AOOOCGPHBNVGDR-BRWVUGGUSA-N
Mol Weight 401.4 g/mol
Molecular Formula C18H18F3NO4S
Exact Mass 401.090864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20mnCbNdcIo
Name (3R,4R,5S)-3-(4-methoxyphenyl)-2-methyl-4-(phenylsulfonyl)-5-(trifluoromethyl)-1,2-oxazolidine
Alternate Name(s) (3R,4R,5S)-4-(benzenesulfonyl)-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine (3R,4R,5S)-4-(benzenesulfonyl)-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)isoxazolidine (3R,4R,5S)-4-besyl-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)isoxazolidine
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Formula C18H18F3NO4S
InChI InChI=1S/C18H18F3NO4S/c1-22-15(12-8-10-13(25-2)11-9-12)16(17(26-22)18(19,20)21)27(23,24)14-6-4-3-5-7-14/h3-11,15-17H,1-2H3/t15-,16-,17-/m1/s1
InChIKey AOOOCGPHBNVGDR-BRWVUGGUSA-N
Molecular Weight 401.400 g/mol
SMILES [C@]1([C@@](ON([C@@]1(c1ccc(cc1)OC)[H])C)(C(F)(F)F)[H])(S(=O)(=O)c1ccccc1)[H]
SPLASH splash10-0006-0920300000-c70887e4fab7329d80d5
Source of Spectrum KC-0-2764-6
Wiley ID 784593