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(1S)-N,N-dimethyl-1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylphenyl]ethanamine
SpectraBase Compound ID 2SpkCZv1toQ
InChI InChI=1S/C13H16F3NO2S/c1-10(17(2)3)11-6-4-5-7-12(11)20(18,19)9-8-13(14,15)16/h4-10H,1-3H3/b9-8+/t10-/m0/s1
InChIKey VNGCYPQOOJJSEN-DDXVTDLHSA-N
Mol Weight 307.33 g/mol
Molecular Formula C13H16F3NO2S
Exact Mass 307.085384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6z2Rxdd8J4o
Name (1S)-N,N-dimethyl-1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylphenyl]ethanamine
Alternate Name(s) (1S)-N,N-dimethyl-1-[2-[(E)-3,3,3-tris(fluoranyl)prop-1-enyl]sulfonylphenyl]ethanamine dimethyl-[(1S)-1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]sulfonylphenyl]ethyl]amine
Comments Less than 3 mono-isotopic peaks
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Formula C13H16F3NO2S
InChI InChI=1S/C13H16F3NO2S/c1-10(17(2)3)11-6-4-5-7-12(11)20(18,19)9-8-13(14,15)16/h4-10H,1-3H3/b9-8+/t10-/m0/s1
InChIKey VNGCYPQOOJJSEN-DDXVTDLHSA-N
Molecular Weight 307.331 g/mol
SMILES c1(S(\C=C\C(F)(F)F)(=O)=O)c([C@@](N(C)C)(C)[H])cccc1
SPLASH splash10-0006-0091000000-10aa567f82ea877a52b9
Source of Spectrum KC-0-1584-8
Wiley ID 822575