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1-[4-[4-(2,4-difluorobenzoyl)piperazino]-3-fluoro-phenyl]butan-1-one
SpectraBase Compound ID BIfxCc153gc
InChI InChI=1S/C21H21F3N2O2/c1-2-3-20(27)14-4-7-19(18(24)12-14)25-8-10-26(11-9-25)21(28)16-6-5-15(22)13-17(16)23/h4-7,12-13H,2-3,8-11H2,1H3
InChIKey QUAWHEFMBQCBTD-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C21H21F3N2O2
Exact Mass 390.155512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwhXcgYW6iU
Name 1-[4-[4-(2,4-difluorobenzoyl)piperazino]-3-fluoro-phenyl]butan-1-one
Alternate Name(s) 1-[4-[4-[(2,4-difluorophenyl)-oxomethyl]-1-piperazinyl]-3-fluorophenyl]-1-butanone 1-[4-[4-[2,4-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]butan-1-one 1-[4-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21F3N2O2
InChI InChI=1S/C21H21F3N2O2/c1-2-3-20(27)14-4-7-19(18(24)12-14)25-8-10-26(11-9-25)21(28)16-6-5-15(22)13-17(16)23/h4-7,12-13H,2-3,8-11H2,1H3
InChIKey QUAWHEFMBQCBTD-UHFFFAOYSA-N
Molecular Weight 390.406 g/mol
SMILES c1(C(N2CCN(CC2)c2c(cc(cc2)C(=O)CCC)F)=O)c(cc(cc1)F)F
SPLASH splash10-05fu-8983000000-c03af93b00cdd3c5f9b3
Wiley ID 1452206