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1-(2-Fluoro-5-methyl-4-nitro-phenyl)-4-(toluene-4-sulfonyl)-piperazine
SpectraBase Compound ID BkKzovdfpsy
InChI InChI=1S/C18H20FN3O4S/c1-13-3-5-15(6-4-13)27(25,26)21-9-7-20(8-10-21)18-11-14(2)17(22(23)24)12-16(18)19/h3-6,11-12H,7-10H2,1-2H3
InChIKey ZYPLNSKTYUKOKS-UHFFFAOYSA-N
Mol Weight 393.43 g/mol
Molecular Formula C18H20FN3O4S
Exact Mass 393.115855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Yrxb34CCc7
Name 1-(2-Fluoro-5-methyl-4-nitro-phenyl)-4-(toluene-4-sulfonyl)-piperazine
Alternate Name(s) 1-(2-fluoranyl-5-methyl-4-nitro-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine 1-(2-fluoro-5-methyl-4-nitro-phenyl)-4-(p-tolylsulfonyl)piperazine 1-(2-fluoro-5-methyl-4-nitro-phenyl)-4-tosyl-piperazine 1-(2-fluoro-5-methyl-4-nitrophenyl)-4-(4-methylphenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20FN3O4S
InChI InChI=1S/C18H20FN3O4S/c1-13-3-5-15(6-4-13)27(25,26)21-9-7-20(8-10-21)18-11-14(2)17(22(23)24)12-16(18)19/h3-6,11-12H,7-10H2,1-2H3
InChIKey ZYPLNSKTYUKOKS-UHFFFAOYSA-N
Molecular Weight 393.433 g/mol
SMILES Cc1ccc(S(N2CCN(c3c(cc(N(=O)=O)c(c3)C)F)CC2)(=O)=O)cc1
SPLASH splash10-0a4u-9220000000-0e711394060ce87ee6ec
Wiley ID 1457870