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(E)-3-(4-Fluorophenyl)-1-(4-tosylpiperazin-1-yl)prop-2-en-1-one

View entire compound with spectra: 1 NMR

(E)-3-(4-Fluorophenyl)-1-(4-tosylpiperazin-1-yl)prop-2-en-1-one
SpectraBase Compound ID BWbbif274HA
InChI InChI=1S/C20H21FN2O3S/c1-16-2-9-19(10-3-16)27(25,26)23-14-12-22(13-15-23)20(24)11-6-17-4-7-18(21)8-5-17/h2-11H,12-15H2,1H3/b11-6+
InChIKey WDDOFDFZFONIAT-IZZDOVSWSA-N
Mol Weight 388.46 g/mol
Molecular Formula C20H21FN2O3S
Exact Mass 388.125692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6H6eTx9KC41
Name (E)-3-(4-Fluorophenyl)-1-(4-tosylpiperazin-1-yl)prop-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.125691878 u
Formula C20H21FN2O3S
InChI InChI=1S/C20H21FN2O3S/c1-16-2-9-19(10-3-16)27(25,26)23-14-12-22(13-15-23)20(24)11-6-17-4-7-18(21)8-5-17/h2-11H,12-15H2,1H3/b11-6+
InChIKey WDDOFDFZFONIAT-IZZDOVSWSA-N
Molecular Weight 388.457 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)F)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C(C)C=C1