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3-[4-(4-chlorophenyl)-1-piperazinyl]-N-[2-(trifluoromethyl)phenyl]propanamide
SpectraBase Compound ID K9dNDeEo9jD
InChI InChI=1S/C20H21ClF3N3O/c21-15-5-7-16(8-6-15)27-13-11-26(12-14-27)10-9-19(28)25-18-4-2-1-3-17(18)20(22,23)24/h1-8H,9-14H2,(H,25,28)
InChIKey COYKXYYMMYYEKC-UHFFFAOYSA-N
Mol Weight 411.86 g/mol
Molecular Formula C20H21ClF3N3O
Exact Mass 411.132524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vZxH3vINv7
Name 3-[4-(4-Chlorophenyl)-1-piperazinyl]-N-[2-(trifluoromethyl)phenyl]propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.132524496 u
Formula C20H21ClF3N3O
InChI InChI=1S/C20H21ClF3N3O/c21-15-5-7-16(8-6-15)27-13-11-26(12-14-27)10-9-19(28)25-18-4-2-1-3-17(18)20(22,23)24/h1-8H,9-14H2,(H,25,28)
InChIKey COYKXYYMMYYEKC-UHFFFAOYSA-N
Molecular Weight 411.856 g/mol
SMILES C(C=1C(NC(CCN2CCN(CC2)C2=CC=C(C=C2)Cl)=O)=CC=CC1)(F)(F)F