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1-(3-Chloranyl-4-methyl-phenyl)-4-(2-methyl-5-propan-2-yl-phenyl)sulfonyl-piperazine
SpectraBase Compound ID AdVKwQQJzXA
InChI InChI=1S/C21H27ClN2O2S/c1-15(2)18-7-5-17(4)21(13-18)27(25,26)24-11-9-23(10-12-24)19-8-6-16(3)20(22)14-19/h5-8,13-15H,9-12H2,1-4H3
InChIKey PBIVQMIWUXXEGA-UHFFFAOYSA-N
Mol Weight 406.97 g/mol
Molecular Formula C21H27ClN2O2S
Exact Mass 406.148177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32O3BK3rEoE
Name 1-(3-Chloranyl-4-methyl-phenyl)-4-(2-methyl-5-propan-2-yl-phenyl)sulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClN2O2S
InChI InChI=1S/C21H27ClN2O2S/c1-15(2)18-7-5-17(4)21(13-18)27(25,26)24-11-9-23(10-12-24)19-8-6-16(3)20(22)14-19/h5-8,13-15H,9-12H2,1-4H3
InChIKey PBIVQMIWUXXEGA-UHFFFAOYSA-N
Molecular Weight 406.972 g/mol
SMILES CC(c1cc(S(N2CCN(CC2)c2cc(Cl)c(cc2)C)(=O)=O)c(cc1)C)C
SPLASH splash10-0a4i-2690500000-4de13c5bd32d43a850c3
Synonyms 1-(3-Chloro-4-methyl-phenyl)-4-(5-isopropyl-2-methyl-phenyl)sulfonyl-piperazine 1-(3-Chloro-4-methylphenyl)-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
Wiley ID 1442864