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(E)-1-(4-((4-(Tert-butyl)phenyl)sulfonyl)piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

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(E)-1-(4-((4-(Tert-butyl)phenyl)sulfonyl)piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one
SpectraBase Compound ID YaA4XlIogR
InChI InChI=1S/C23H27FN2O3S/c1-23(2,3)19-7-11-21(12-8-19)30(28,29)26-16-14-25(15-17-26)22(27)13-6-18-4-9-20(24)10-5-18/h4-13H,14-17H2,1-3H3/b13-6+
InChIKey MCDDCVIZHVUJPB-AWNIVKPZSA-N
Mol Weight 430.54 g/mol
Molecular Formula C23H27FN2O3S
Exact Mass 430.172642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2o0fUHsvvaR
Name (E)-1-(4-((4-(Tert-butyl)phenyl)sulfonyl)piperazin-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.172642071 u
Formula C23H27FN2O3S
InChI InChI=1S/C23H27FN2O3S/c1-23(2,3)19-7-11-21(12-8-19)30(28,29)26-16-14-25(15-17-26)22(27)13-6-18-4-9-20(24)10-5-18/h4-13H,14-17H2,1-3H3/b13-6+
InChIKey MCDDCVIZHVUJPB-AWNIVKPZSA-N
Molecular Weight 430.538 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)F)(=O)N1CCN(CC1)S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C