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1-[3-fluoranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]propan-1-one
SpectraBase Compound ID 8JqvqxcHKJK
InChI InChI=1S/C20H23FN2O3S/c1-3-20(24)16-6-9-19(18(21)14-16)22-10-12-23(13-11-22)27(25,26)17-7-4-15(2)5-8-17/h4-9,14H,3,10-13H2,1-2H3
InChIKey KARRAAIBNQINPO-UHFFFAOYSA-N
Mol Weight 390.47 g/mol
Molecular Formula C20H23FN2O3S
Exact Mass 390.141342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8jaHTUTSfA
Name 1-[3-fluoranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]propan-1-one
Alternate Name(s) 1-[3-fluoro-4-(4-tosylpiperazino)phenyl]propan-1-one 1-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]propan-1-one 1-[3-fluoro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23FN2O3S
InChI InChI=1S/C20H23FN2O3S/c1-3-20(24)16-6-9-19(18(21)14-16)22-10-12-23(13-11-22)27(25,26)17-7-4-15(2)5-8-17/h4-9,14H,3,10-13H2,1-2H3
InChIKey KARRAAIBNQINPO-UHFFFAOYSA-N
Molecular Weight 390.473 g/mol
SMILES CCC(c1ccc(N2CCN(S(c3ccc(cc3)C)(=O)=O)CC2)c(c1)F)=O
SPLASH splash10-052r-9351000000-72c2006bd2974175c995
Wiley ID 1452090