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1-[4-[4-(2-chloro-4,5-difluoro-benzoyl)piperazino]-3-fluoro-phenyl]butan-1-one
SpectraBase Compound ID L1n5fCW61N
InChI InChI=1S/C21H20ClF3N2O2/c1-2-3-20(28)13-4-5-19(18(25)10-13)26-6-8-27(9-7-26)21(29)14-11-16(23)17(24)12-15(14)22/h4-5,10-12H,2-3,6-9H2,1H3
InChIKey DSFQQHZLNAMTNU-UHFFFAOYSA-N
Mol Weight 424.85 g/mol
Molecular Formula C21H20ClF3N2O2
Exact Mass 424.11654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxxrSUMb0YC
Name 1-[4-[4-(2-chloro-4,5-difluoro-benzoyl)piperazino]-3-fluoro-phenyl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClF3N2O2
InChI InChI=1S/C21H20ClF3N2O2/c1-2-3-20(28)13-4-5-19(18(25)10-13)26-6-8-27(9-7-26)21(29)14-11-16(23)17(24)12-15(14)22/h4-5,10-12H,2-3,6-9H2,1H3
InChIKey DSFQQHZLNAMTNU-UHFFFAOYSA-N
Molecular Weight 424.851 g/mol
SMILES c1(C(N2CCN(CC2)c2c(cc(cc2)C(=O)CCC)F)=O)c(cc(c(c1)F)F)Cl
SPLASH splash10-05fr-6980000000-3a7b95050323d97a554e
Synonyms 1-[4-[4-[(2-chloro-4,5-difluorophenyl)-oxomethyl]-1-piperazinyl]-3-fluorophenyl]-1-butanone 1-[4-[4-[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]butan-1-one 1-[4-[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]butan-1-one
Wiley ID 1457842