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Piperazine, 1-(3-chloro-2-methylphenyl)-4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
SpectraBase Compound ID AY3D8Q1nqqF
InChI InChI=1S/C21H27ClN2O2S/c1-16-19(22)6-5-7-20(16)23-12-14-24(15-13-23)27(25,26)18-10-8-17(9-11-18)21(2,3)4/h5-11H,12-15H2,1-4H3
InChIKey YSHGAZBHERKKPJ-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 CeWF4V4VeW7
Name Piperazine, 1-(3-chloro-2-methylphenyl)-4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
Alternate Name(s) 1-(4-tert-butylphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine 1-(4-tert-butylphenyl)sulfonyl-4-(3-chloranyl-2-methyl-phenyl)piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClN2O2S
InChI InChI=1S/C21H27ClN2O2S/c1-16-19(22)6-5-7-20(16)23-12-14-24(15-13-23)27(25,26)18-10-8-17(9-11-18)21(2,3)4/h5-11H,12-15H2,1-4H3
InChIKey YSHGAZBHERKKPJ-UHFFFAOYSA-N
Molecular Weight 406.972 g/mol
SMILES CC(c1ccc(S(N2CCN(c3c(c(Cl)ccc3)C)CC2)(=O)=O)cc1)(C)C
SPLASH splash10-0a4i-9660000000-7615e238209ebb146e88
Source of Spectrum IY-1-4622-4
Wiley ID 1654207