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N-(4-bromo-2-methoxy-phenyl)-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetamide

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N-(4-bromo-2-methoxy-phenyl)-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetamide
SpectraBase Compound ID 3LeK2BH2FJ1
InChI InChI=1S/C20H21BrF3N3O2/c1-29-18-12-15(21)5-6-17(18)25-19(28)13-26-7-9-27(10-8-26)16-4-2-3-14(11-16)20(22,23)24/h2-6,11-12H,7-10,13H2,1H3,(H,25,28)
InChIKey TXAXBHAKHUFIPH-UHFFFAOYSA-N
Mol Weight 472.31 g/mol
Molecular Formula C20H21BrF3N3O2
Exact Mass 471.076924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9DKNnEEbXP1
Name N-(4-Bromo-2-methoxy-phenyl)-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.076924415 u
Formula C20H21BrF3N3O2
InChI InChI=1S/C20H21BrF3N3O2/c1-29-18-12-15(21)5-6-17(18)25-19(28)13-26-7-9-27(10-8-26)16-4-2-3-14(11-16)20(22,23)24/h2-6,11-12H,7-10,13H2,1H3,(H,25,28)
InChIKey TXAXBHAKHUFIPH-UHFFFAOYSA-N
Molecular Weight 472.306 g/mol
SMILES C(C1=CC(N2CCN(CC2)CC(NC2=C(C=C(C=C2)Br)OC)=O)=CC=C1)(F)(F)F