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1-(3,4-Dichlorophenyl)-4-(4-phenylphenyl)sulfonyl-piperazine

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

1-(3,4-Dichlorophenyl)-4-(4-phenylphenyl)sulfonyl-piperazine
SpectraBase Compound ID 4BCeUKLb64G
InChI InChI=1S/C22H20Cl2N2O2S/c23-21-11-8-19(16-22(21)24)25-12-14-26(15-13-25)29(27,28)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKey USRIMXSAOYGXLG-UHFFFAOYSA-N
Mol Weight 447.38 g/mol
Molecular Formula C22H20Cl2N2O2S
Exact Mass 446.062254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUneu1aoBmR
Name 1-(3,4-Dichlorophenyl)-4-(4-phenylphenyl)sulfonyl-piperazine
Comments Computed using HOSE algorithm
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Exact Mass 446.062254464 u
Formula C22H20Cl2N2O2S
InChI InChI=1S/C22H20Cl2N2O2S/c23-21-11-8-19(16-22(21)24)25-12-14-26(15-13-25)29(27,28)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKey USRIMXSAOYGXLG-UHFFFAOYSA-N
Molecular Weight 447.380 g/mol
SMILES C1CN(C2=CC=C(C(=C2)Cl)Cl)CCN1S(C=1C=CC(C2=CC=CC=C2)=CC1)(=O)=O