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1-(3-Chlorophenyl)-4-[(2,5-dichlorophenyl)sulfonyl]piperazine

View entire compound with spectra: 2 NMR

1-(3-Chlorophenyl)-4-[(2,5-dichlorophenyl)sulfonyl]piperazine
SpectraBase Compound ID Gv4RmiA5FtB
InChI InChI=1S/C16H15Cl3N2O2S/c17-12-2-1-3-14(10-12)20-6-8-21(9-7-20)24(22,23)16-11-13(18)4-5-15(16)19/h1-5,10-11H,6-9H2
InChIKey CMOHIYAYQCFWEZ-UHFFFAOYSA-N
Mol Weight 405.73 g/mol
Molecular Formula C16H15Cl3N2O2S
Exact Mass 403.991982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TxeIkwMGcE
Name 1-(3-Chlorophenyl)-4-[(2,5-dichlorophenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 403.991982003 u
Formula C16H15Cl3N2O2S
InChI InChI=1S/C16H15Cl3N2O2S/c17-12-2-1-3-14(10-12)20-6-8-21(9-7-20)24(22,23)16-11-13(18)4-5-15(16)19/h1-5,10-11H,6-9H2
InChIKey CMOHIYAYQCFWEZ-UHFFFAOYSA-N
Molecular Weight 405.727 g/mol
SMILES C=1C=CC(N2CCN(S(C=3C=C(Cl)C=CC3Cl)(=O)=O)CC2)=CC1Cl