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1-[(1S)-1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylphenyl]ethyl]piperidine
SpectraBase Compound ID LFhSJjKGueb
InChI InChI=1S/C16H20F3NO2S/c1-13(20-10-5-2-6-11-20)14-7-3-4-8-15(14)23(21,22)12-9-16(17,18)19/h3-4,7-9,12-13H,2,5-6,10-11H2,1H3/b12-9+/t13-/m0/s1
InChIKey IGVSTFODFDXBPV-SRXBQZRASA-N
Mol Weight 347.4 g/mol
Molecular Formula C16H20F3NO2S
Exact Mass 347.116685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUoNqr4Tpxo
Name 1-[(1S)-1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylphenyl]ethyl]piperidine
Alternate Name(s) 1-[(1S)-1-[2-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]sulfonylphenyl]ethyl]piperidine
Comments Less than 3 mono-isotopic peaks
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Formula C16H20F3NO2S
InChI InChI=1S/C16H20F3NO2S/c1-13(20-10-5-2-6-11-20)14-7-3-4-8-15(14)23(21,22)12-9-16(17,18)19/h3-4,7-9,12-13H,2,5-6,10-11H2,1H3/b12-9+/t13-/m0/s1
InChIKey IGVSTFODFDXBPV-SRXBQZRASA-N
Molecular Weight 347.396 g/mol
SMILES c1(S(\C=C\C(F)(F)F)(=O)=O)c([C@@](N2CCCCC2)(C)[H])cccc1
SPLASH splash10-000i-0903000000-0be26271c435d911553b
Source of Spectrum KC-0-1584-8
Wiley ID 822574