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Piperazine, 1-(5-chloro-2-methylphenyl)-4-[[2-methoxy-5-(1-methylethyl)phenyl]sulfonyl]-
SpectraBase Compound ID 11zkFKZfp3r
InChI InChI=1S/C21H27ClN2O3S/c1-15(2)17-6-8-20(27-4)21(13-17)28(25,26)24-11-9-23(10-12-24)19-14-18(22)7-5-16(19)3/h5-8,13-15H,9-12H2,1-4H3
InChIKey MXDCIPAOSUMEEH-UHFFFAOYSA-N
Mol Weight 422.97 g/mol
Molecular Formula C21H27ClN2O3S
Exact Mass 422.143092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpblDfniy5U
Name Piperazine, 1-(5-chloro-2-methylphenyl)-4-[[2-methoxy-5-(1-methylethyl)phenyl]sulfonyl]-
Alternate Name(s) 1-(5-Chloro-2-methylphenyl)-4-(2-methoxy-5-propan-2-ylphenyl)sulfonylpiperazine 1-(5-Chloranyl-2-methyl-phenyl)-4-(2-methoxy-5-propan-2-yl-phenyl)sulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClN2O3S
InChI InChI=1S/C21H27ClN2O3S/c1-15(2)17-6-8-20(27-4)21(13-17)28(25,26)24-11-9-23(10-12-24)19-14-18(22)7-5-16(19)3/h5-8,13-15H,9-12H2,1-4H3
InChIKey MXDCIPAOSUMEEH-UHFFFAOYSA-N
Molecular Weight 422.971 g/mol
SMILES COc1c(S(N2CCN(CC2)c2cc(Cl)ccc2C)(=O)=O)cc(C(C)C)cc1
SPLASH splash10-0a4i-9680000000-e5ba4bb47c33f238afbf
Source of Spectrum IY-1-4622-3
Wiley ID 1654206