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N-[4,4-Bis-(4-fluoro-phenyl)-but-3-enyl]-4-methyl-benzenesulfonamide
SpectraBase Compound ID 9nK0uxA8e9t
InChI InChI=1S/C23H21F2NO2S/c1-17-4-14-22(15-5-17)29(27,28)26-16-2-3-23(18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h3-15,26H,2,16H2,1H3
InChIKey FPFRIBZWNMKAGS-UHFFFAOYSA-N
Mol Weight 413.48 g/mol
Molecular Formula C23H21F2NO2S
Exact Mass 413.126106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwO8HAC9Oyq
Name N-[4,4-bis-(4-Fluoro-phenyl)-but-3-enyl]-4-methyl-benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.126106418 u
Formula C23H21F2NO2S
InChI InChI=1S/C23H21F2NO2S/c1-17-4-14-22(15-5-17)29(27,28)26-16-2-3-23(18-6-10-20(24)11-7-18)19-8-12-21(25)13-9-19/h3-15,26H,2,16H2,1H3
InChIKey FPFRIBZWNMKAGS-UHFFFAOYSA-N
Molecular Weight 413.483 g/mol
SMILES C1(S(=O)(=O)NCCC=C(C=2C=CC(=CC2)F)C2=CC=C(C=C2)F)=CC=C(C=C1)C