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1-(2,5-Diethoxy-benzenesulfonyl)-4-(3,5-dimethyl-phenyl)-piperazine
SpectraBase Compound ID IBhpeboKCnD
InChI InChI=1S/C22H30N2O4S/c1-5-27-20-7-8-21(28-6-2)22(16-20)29(25,26)24-11-9-23(10-12-24)19-14-17(3)13-18(4)15-19/h7-8,13-16H,5-6,9-12H2,1-4H3
InChIKey NUJAKCUBJFZRIF-UHFFFAOYSA-N
Mol Weight 418.55 g/mol
Molecular Formula C22H30N2O4S
Exact Mass 418.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24fbQBlHXVm
Name 1-(2,5-Diethoxy-benzenesulfonyl)-4-(3,5-dimethyl-phenyl)-piperazine
Alternate Name(s) 1-[(2,5-diethoxyphenyl)sulfonyl]-4-(3,5-dimethylphenyl)piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O4S
InChI InChI=1S/C22H30N2O4S/c1-5-27-20-7-8-21(28-6-2)22(16-20)29(25,26)24-11-9-23(10-12-24)19-14-17(3)13-18(4)15-19/h7-8,13-16H,5-6,9-12H2,1-4H3
InChIKey NUJAKCUBJFZRIF-UHFFFAOYSA-N
Molecular Weight 418.552 g/mol
SMILES CCOc1cc(S(N2CCN(c3cc(C)cc(c3)C)CC2)(=O)=O)c(cc1)OCC
SPLASH splash10-000i-1900100000-3fe478d667209956abcd
Wiley ID 1444625