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1-(3-Chlorophenyl)-4-(4-cyclohexylphenyl)sulfonyl-piperazine

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

1-(3-Chlorophenyl)-4-(4-cyclohexylphenyl)sulfonyl-piperazine
SpectraBase Compound ID 4kCNWwb2CXs
InChI InChI=1S/C22H27ClN2O2S/c23-20-7-4-8-21(17-20)24-13-15-25(16-14-24)28(26,27)22-11-9-19(10-12-22)18-5-2-1-3-6-18/h4,7-12,17-18H,1-3,5-6,13-16H2
InChIKey QQPDMRWVSTXYRD-UHFFFAOYSA-N
Mol Weight 418.98 g/mol
Molecular Formula C22H27ClN2O2S
Exact Mass 418.148177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NK2poe5rIF
Name 1-(3-Chlorophenyl)-4-(4-cyclohexylphenyl)sulfonyl-piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.148176989 u
Formula C22H27ClN2O2S
InChI InChI=1S/C22H27ClN2O2S/c23-20-7-4-8-21(17-20)24-13-15-25(16-14-24)28(26,27)22-11-9-19(10-12-22)18-5-2-1-3-6-18/h4,7-12,17-18H,1-3,5-6,13-16H2
InChIKey QQPDMRWVSTXYRD-UHFFFAOYSA-N
Molecular Weight 418.983 g/mol
SMILES C1CCC(C2=CC=C(S(N3CCN(CC3)C=3C=C(Cl)C=CC3)(=O)=O)C=C2)CC1