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(2S,Rs)-n-4,4,4,3,3-Pentafluoro-2-(N-p-methoxyphenyl)aminopropyl p-tolyl sulfoxide
SpectraBase Compound ID 8kkY8WKyEvw
InChI InChI=1S/C18H18F5NO2S/c1-12-3-9-15(10-4-12)27(25)11-16(17(19,20)18(21,22)23)24-13-5-7-14(26-2)8-6-13/h3-10,16,24H,11H2,1-2H3/t16-,27?/m1/s1
InChIKey BPPDYHUPUMBTGN-DKEDTHNGSA-N
Mol Weight 407.4 g/mol
Molecular Formula C18H18F5NO2S
Exact Mass 407.097841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkMFqWv8mFP
Name (2S,Rs)-n-4,4,4,3,3-Pentafluoro-2-(N-p-methoxyphenyl)aminopropyl p-tolyl sulfoxide
Alternate Name(s) 4-Methoxy-N-[(2S)-3,3,4,4,4-pentafluoro-1-[(R)-(4-methylphenyl)sulfinyl]butan-2-yl]aniline 4-Methoxy-N-[(1S)-2,2,3,3,3-pentafluoro-1-[[(R)-p-tolylsulfinyl]methyl]propyl]aniline 4-Methoxy-N-[(2S)-3,3,4,4,4-pentakis(fluoranyl)-1-[(R)-(4-methylphenyl)sulfinyl]butan-2-yl]aniline
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Formula C18H18F5NO2S
InChI InChI=1S/C18H18F5NO2S/c1-12-3-9-15(10-4-12)27(25)11-16(17(19,20)18(21,22)23)24-13-5-7-14(26-2)8-6-13/h3-10,16,24H,11H2,1-2H3/t16-,27?/m1/s1
InChIKey BPPDYHUPUMBTGN-DKEDTHNGSA-N
Molecular Weight 407.399 g/mol
SMILES N([C@@](C(C(F)(F)F)(F)F)(C[S@](c1ccc(cc1)C)=O)[H])c1ccc(OC)cc1
SPLASH splash10-0aor-0250900000-66b797dd3035ac7b5e64
Source of Spectrum F-54-12800-7
Wiley ID 809330