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1-(3,4-Dichlorophenyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazine

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1-(3,4-Dichlorophenyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazine
SpectraBase Compound ID 8SX7yaYtXM6
InChI InChI=1S/C20H24Cl2N2O4S/c1-3-27-16-6-8-19(28-4-2)20(14-16)29(25,26)24-11-9-23(10-12-24)15-5-7-17(21)18(22)13-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKey OFFVMGZLJZEHAX-UHFFFAOYSA-N
Mol Weight 459.39 g/mol
Molecular Formula C20H24Cl2N2O4S
Exact Mass 458.083384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KcKivcq9cjw
Name 1-(3,4-Dichlorophenyl)-4-(2,5-diethoxyphenyl)sulfonyl-piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.083383831 u
Formula C20H24Cl2N2O4S
InChI InChI=1S/C20H24Cl2N2O4S/c1-3-27-16-6-8-19(28-4-2)20(14-16)29(25,26)24-11-9-23(10-12-24)15-5-7-17(21)18(22)13-15/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKey OFFVMGZLJZEHAX-UHFFFAOYSA-N
Molecular Weight 459.388 g/mol
SMILES C1CN(C2=CC=C(C(=C2)Cl)Cl)CCN1S(C=1C(=CC=C(C1)OCC)OCC)(=O)=O