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Piperazine, 1-(3-chloro-2-methylphenyl)-4-[[2-methoxy-5-(1-methylethyl)phenyl]sulfonyl]-
SpectraBase Compound ID 2CocRuWdf3P
InChI InChI=1S/C21H27ClN2O3S/c1-15(2)17-8-9-20(27-4)21(14-17)28(25,26)24-12-10-23(11-13-24)19-7-5-6-18(22)16(19)3/h5-9,14-15H,10-13H2,1-4H3
InChIKey BJZAOQFWIAECGP-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 KMaCuKodcGS
Name Piperazine, 1-(3-chloro-2-methylphenyl)-4-[[2-methoxy-5-(1-methylethyl)phenyl]sulfonyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClN2O3S
InChI InChI=1S/C21H27ClN2O3S/c1-15(2)17-8-9-20(27-4)21(14-17)28(25,26)24-12-10-23(11-13-24)19-7-5-6-18(22)16(19)3/h5-9,14-15H,10-13H2,1-4H3
InChIKey BJZAOQFWIAECGP-UHFFFAOYSA-N
Molecular Weight 422.971 g/mol
SMILES COc1c(S(N2CCN(c3c(c(Cl)ccc3)C)CC2)(=O)=O)cc(C(C)C)cc1
SPLASH splash10-0a4i-9560000000-586ecc03ba169679d543
Source of Spectrum IY-1-4624-4
Synonyms 1-(3-Chloro-2-methylphenyl)-4-(2-methoxy-5-propan-2-ylphenyl)sulfonylpiperazine 1-(3-Chloranyl-2-methyl-phenyl)-4-(2-methoxy-5-propan-2-yl-phenyl)sulfonyl-piperazine
Wiley ID 1654227