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(E)-3-(4-Bromophenyl)-1-[4-(4-chlorobenzyl)piperazin-1-yl]prop-2-en-1-one

View entire compound with spectra: 1 NMR

(E)-3-(4-Bromophenyl)-1-[4-(4-chlorobenzyl)piperazin-1-yl]prop-2-en-1-one
SpectraBase Compound ID 5aeSJTiYFLX
InChI InChI=1S/C20H20BrClN2O/c21-18-6-1-16(2-7-18)5-10-20(25)24-13-11-23(12-14-24)15-17-3-8-19(22)9-4-17/h1-10H,11-15H2/b10-5+
InChIKey NXTNVQJKGHAGAX-BJMVGYQFSA-N
Mol Weight 419.75 g/mol
Molecular Formula C20H20BrClN2O
Exact Mass 418.044754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbHw1jt4pgk
Name (E)-3-(4-Bromophenyl)-1-[4-(4-chlorobenzyl)piperazin-1-yl]prop-2-en-1-one
Comments Computed using HOSE algorithm
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Exact Mass 418.044753971 u
Formula C20H20BrClN2O
InChI InChI=1S/C20H20BrClN2O/c21-18-6-1-16(2-7-18)5-10-20(25)24-13-11-23(12-14-24)15-17-3-8-19(22)9-4-17/h1-10H,11-15H2/b10-5+
InChIKey NXTNVQJKGHAGAX-BJMVGYQFSA-N
Molecular Weight 419.750 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)Br)(=O)N1CCN(CC1)CC1=CC=C(C=C1)Cl