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2-[3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl ethyl ether

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-[3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl ethyl ether
SpectraBase Compound ID IULcBQ1SblV
InChI InChI=1S/C23H20BrClN2O/c1-2-28-23-6-4-3-5-21(23)27-22(17-9-13-19(25)14-10-17)15-20(26-27)16-7-11-18(24)12-8-16/h3-14,22H,2,15H2,1H3
InChIKey WGHPJFFZHATDPQ-UHFFFAOYSA-N
Mol Weight 455.78 g/mol
Molecular Formula C23H20BrClN2O
Exact Mass 454.044754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfVe1moeYIv
Name 2-[3-(4-Bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl ethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.044753971 u
Formula C23H20BrClN2O
InChI InChI=1S/C23H20BrClN2O/c1-2-28-23-6-4-3-5-21(23)27-22(17-9-13-19(25)14-10-17)15-20(26-27)16-7-11-18(24)12-8-16/h3-14,22H,2,15H2,1H3
InChIKey WGHPJFFZHATDPQ-UHFFFAOYSA-N
Molecular Weight 455.783 g/mol
SMILES C1=CC=C(N2N=C(C=3C=CC(=CC3)Br)CC2C=2C=CC(=CC2)Cl)C(OCC)=C1