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Piperazine, 1-(5-chloro-2-methylphenyl)-4-[(2,5-diethoxyphenyl)sulfonyl]-
SpectraBase Compound ID ImgztWJ5aA7
InChI InChI=1S/C21H27ClN2O4S/c1-4-27-18-8-9-20(28-5-2)21(15-18)29(25,26)24-12-10-23(11-13-24)19-14-17(22)7-6-16(19)3/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKey JQLOTROZKNGADZ-UHFFFAOYSA-N
Mol Weight 438.97 g/mol
Molecular Formula C21H27ClN2O4S
Exact Mass 438.138006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7Rs2fcpfj3
Name Piperazine, 1-(5-chloro-2-methylphenyl)-4-[(2,5-diethoxyphenyl)sulfonyl]-
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Formula C21H27ClN2O4S
InChI InChI=1S/C21H27ClN2O4S/c1-4-27-18-8-9-20(28-5-2)21(15-18)29(25,26)24-12-10-23(11-13-24)19-14-17(22)7-6-16(19)3/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKey JQLOTROZKNGADZ-UHFFFAOYSA-N
Molecular Weight 438.970 g/mol
SMILES CCOc1cc(S(N2CCN(CC2)c2cc(Cl)ccc2C)(=O)=O)c(cc1)OCC
SPLASH splash10-0a4i-9560000000-5f86dfc45d13ded2623d
Source of Spectrum IY-1-4622-6
Synonyms 1-(5-Chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine 1-(5-Chloranyl-2-methyl-phenyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazine
Wiley ID 1654209