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1-(2,5-Dichlorophenyl)-4-(4-ethylphenyl)sulfonyl-piperazine

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

1-(2,5-Dichlorophenyl)-4-(4-ethylphenyl)sulfonyl-piperazine
SpectraBase Compound ID JvuT5xHt1Ye
InChI InChI=1S/C18H20Cl2N2O2S/c1-2-14-3-6-16(7-4-14)25(23,24)22-11-9-21(10-12-22)18-13-15(19)5-8-17(18)20/h3-8,13H,2,9-12H2,1H3
InChIKey KRRMNTHIOKYEAG-UHFFFAOYSA-N
Mol Weight 399.34 g/mol
Molecular Formula C18H20Cl2N2O2S
Exact Mass 398.062254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2y7ogCgsYv2
Name 1-(2,5-Dichlorophenyl)-4-(4-ethylphenyl)sulfonyl-piperazine
Comments Computed using HOSE algorithm
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Exact Mass 398.062254464 u
Formula C18H20Cl2N2O2S
InChI InChI=1S/C18H20Cl2N2O2S/c1-2-14-3-6-16(7-4-14)25(23,24)22-11-9-21(10-12-22)18-13-15(19)5-8-17(18)20/h3-8,13H,2,9-12H2,1H3
InChIKey KRRMNTHIOKYEAG-UHFFFAOYSA-N
Molecular Weight 399.336 g/mol
SMILES CCC=1C=CC(S(N2CCN(CC2)C=2C=C(Cl)C=CC2Cl)(=O)=O)=CC1