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1-(4-Tert-butylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(4-Tert-butylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
SpectraBase Compound ID 2rpzDEC6Hv1
InChI InChI=1S/C20H24Cl2N2O2S/c1-20(2,3)15-4-7-17(8-5-15)27(25,26)24-12-10-23(11-13-24)19-14-16(21)6-9-18(19)22/h4-9,14H,10-13H2,1-3H3
InChIKey XULLARFSJMHKLO-UHFFFAOYSA-N
Mol Weight 427.39 g/mol
Molecular Formula C20H24Cl2N2O2S
Exact Mass 426.093555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kb03YcLhfpk
Name 1-(4-Tert-butylphenyl)sulfonyl-4-(2,5-dichlorophenyl)piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.093554593 u
Formula C20H24Cl2N2O2S
InChI InChI=1S/C20H24Cl2N2O2S/c1-20(2,3)15-4-7-17(8-5-15)27(25,26)24-12-10-23(11-13-24)19-14-16(21)6-9-18(19)22/h4-9,14H,10-13H2,1-3H3
InChIKey XULLARFSJMHKLO-UHFFFAOYSA-N
Molecular Weight 427.390 g/mol
SMILES CC(C=1C=CC(S(N2CCN(CC2)C=2C=C(C=CC2Cl)Cl)(=O)=O)=CC1)(C)C