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1-(2,5-Dichloro-4-methoxy-benzenesulfonyl)-4-(3,5-dimethyl-phenyl)-piperazine

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

1-(2,5-Dichloro-4-methoxy-benzenesulfonyl)-4-(3,5-dimethyl-phenyl)-piperazine
SpectraBase Compound ID IGuBn2os9l1
InChI InChI=1S/C19H22Cl2N2O3S/c1-13-8-14(2)10-15(9-13)22-4-6-23(7-5-22)27(24,25)19-12-16(20)18(26-3)11-17(19)21/h8-12H,4-7H2,1-3H3
InChIKey ZYHDIEWGYLBQFM-UHFFFAOYSA-N
Mol Weight 429.36 g/mol
Molecular Formula C19H22Cl2N2O3S
Exact Mass 428.072819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlOMCzL4ulV
Name 1-(2,5-Dichloro-4-methoxy-benzenesulfonyl)-4-(3,5-dimethyl-phenyl)-piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.072819147 u
Formula C19H22Cl2N2O3S
InChI InChI=1S/C19H22Cl2N2O3S/c1-13-8-14(2)10-15(9-13)22-4-6-23(7-5-22)27(24,25)19-12-16(20)18(26-3)11-17(19)21/h8-12H,4-7H2,1-3H3
InChIKey ZYHDIEWGYLBQFM-UHFFFAOYSA-N
Molecular Weight 429.362 g/mol
SMILES COC=1C=C(C(S(N2CCN(C=3C=C(C=C(C3)C)C)CC2)(=O)=O)=CC1Cl)Cl