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4-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-2-fluorophenyl]-1-piperazinecarboxylic acid ethyl ester
SpectraBase Compound ID Al83hosHKkD
InChI InChI=1S/C21H22BrFN2O4/c1-3-29-21(27)25-10-8-24(9-11-25)18-6-4-15(13-17(18)23)20(26)14-5-7-19(28-2)16(22)12-14/h4-7,12-13H,3,8-11H2,1-2H3
InChIKey SWLXOHLGHVFOLI-UHFFFAOYSA-N
Mol Weight 465.32 g/mol
Molecular Formula C21H22BrFN2O4
Exact Mass 464.074698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1idapXzgp52
Name 4-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-2-fluorophenyl]-1-piperazinecarboxylic acid ethyl ester
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Formula C21H22BrFN2O4
InChI InChI=1S/C21H22BrFN2O4/c1-3-29-21(27)25-10-8-24(9-11-25)18-6-4-15(13-17(18)23)20(26)14-5-7-19(28-2)16(22)12-14/h4-7,12-13H,3,8-11H2,1-2H3
InChIKey SWLXOHLGHVFOLI-UHFFFAOYSA-N
Molecular Weight 465.319 g/mol
SMILES CCOC(N1CCN(CC1)c1c(cc(C(c2cc(Br)c(cc2)OC)=O)cc1)F)=O
SPLASH splash10-0a4l-9621000000-23894debbbfa2baf5a9a
Synonyms Ethyl 4-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-2-fluoranyl-phenyl]piperazine-1-carboxylate Ethyl 4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazine-1-carboxylate Ethyl 4-[4-(3-bromo-4-methoxybenzoyl)-2-fluorophenyl]piperazine-1-carboxylate
Wiley ID 1457873