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2-Bromophenyl [5-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-2-furyl]methyl ether

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2-Bromophenyl [5-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-2-furyl]methyl ether
SpectraBase Compound ID 4Ha7L6tWqoW
InChI InChI=1S/C23H20BrF3N2O3/c24-19-6-1-2-7-20(19)31-15-18-8-9-21(32-18)22(30)29-12-10-28(11-13-29)17-5-3-4-16(14-17)23(25,26)27/h1-9,14H,10-13,15H2
InChIKey YRBBRUOGTPMBNU-UHFFFAOYSA-N
Mol Weight 509.32 g/mol
Molecular Formula C23H20BrF3N2O3
Exact Mass 508.06094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxFqo7tsh87
Name 2-Bromophenyl [5-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-2-furyl]methyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.060939998 u
Formula C23H20BrF3N2O3
InChI InChI=1S/C23H20BrF3N2O3/c24-19-6-1-2-7-20(19)31-15-18-8-9-21(32-18)22(30)29-12-10-28(11-13-29)17-5-3-4-16(14-17)23(25,26)27/h1-9,14H,10-13,15H2
InChIKey YRBBRUOGTPMBNU-UHFFFAOYSA-N
Molecular Weight 509.323 g/mol
SMILES C=1(C(N2CCN(CC2)C2=CC(C(F)(F)F)=CC=C2)=O)OC(COC2=C(Br)C=CC=C2)=CC1