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1-(2,5-Dichlorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine

View entire compound with spectra: 2 NMR

1-(2,5-Dichlorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID 1eN7OpC5Hd
InChI InChI=1S/C18H15Cl2F3N2O/c19-13-4-5-16(20)15(11-13)17(26)25-8-6-24(7-9-25)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2
InChIKey HQNXYSATHAXHKX-UHFFFAOYSA-N
Mol Weight 403.23 g/mol
Molecular Formula C18H15Cl2F3N2O
Exact Mass 402.051353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25ukUXYOvMe
Name 1-(2,5-Dichlorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.051352999 u
Formula C18H15Cl2F3N2O
InChI InChI=1S/C18H15Cl2F3N2O/c19-13-4-5-16(20)15(11-13)17(26)25-8-6-24(7-9-25)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2
InChIKey HQNXYSATHAXHKX-UHFFFAOYSA-N
Molecular Weight 403.232 g/mol
SMILES C=1(C(N2CCN(C=3C=C(C(F)(F)F)C=CC3)CC2)=O)C(=CC=C(C1)Cl)Cl