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1-(3-Chloranyl-4-methyl-phenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine

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

1-(3-Chloranyl-4-methyl-phenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine
SpectraBase Compound ID 5Fe0RW9r426
InChI InChI=1S/C19H23ClN2O4S/c1-14-4-5-15(12-17(14)20)21-8-10-22(11-9-21)27(23,24)16-6-7-18(25-2)19(13-16)26-3/h4-7,12-13H,8-11H2,1-3H3
InChIKey KBAZQYXVNXEEKL-UHFFFAOYSA-N
Mol Weight 410.92 g/mol
Molecular Formula C19H23ClN2O4S
Exact Mass 410.106706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LL4oytVtOY2
Name 1-(3-Chloranyl-4-methyl-phenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.106706099 u
Formula C19H23ClN2O4S
InChI InChI=1S/C19H23ClN2O4S/c1-14-4-5-15(12-17(14)20)21-8-10-22(11-9-21)27(23,24)16-6-7-18(25-2)19(13-16)26-3/h4-7,12-13H,8-11H2,1-3H3
InChIKey KBAZQYXVNXEEKL-UHFFFAOYSA-N
Molecular Weight 410.916 g/mol
SMILES COC=1C=CC(S(N2CCN(CC2)C2=CC(Cl)=C(C=C2)C)(=O)=O)=CC1OC