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1-[4-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-2-fluoranyl-phenyl]piperazin-1-yl]butan-1-one
SpectraBase Compound ID HZIn7SgUQoG
InChI InChI=1S/C22H24BrFN2O3/c1-3-4-21(27)26-11-9-25(10-12-26)19-7-5-16(14-18(19)24)22(28)15-6-8-20(29-2)17(23)13-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKey DSHVSUXOWYXVRH-UHFFFAOYSA-N
Mol Weight 463.35 g/mol
Molecular Formula C22H24BrFN2O3
Exact Mass 462.095434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6y0bVnaJ1Vj
Name 1-[4-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-2-fluoranyl-phenyl]piperazin-1-yl]butan-1-one
Alternate Name(s) 1-[4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazin-1-yl]butan-1-one 1-[4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazino]butan-1-one 1-[4-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-2-fluorophenyl]-1-piperazinyl]-1-butanone
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Formula C22H24BrFN2O3
InChI InChI=1S/C22H24BrFN2O3/c1-3-4-21(27)26-11-9-25(10-12-26)19-7-5-16(14-18(19)24)22(28)15-6-8-20(29-2)17(23)13-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKey DSHVSUXOWYXVRH-UHFFFAOYSA-N
Molecular Weight 463.347 g/mol
SMILES CCCC(N1CCN(CC1)c1c(cc(C(c2cc(Br)c(cc2)OC)=O)cc1)F)=O
SPLASH splash10-052f-9211000000-856b4a4f518050d014eb
Wiley ID 1457874